CAS号:1204669-69-1-Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]a - Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 1,1-dimethylethyl ester-科华智慧

1. 主信息

英文名:	Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]amino]sulfonyl]-, 1,1-dimethylethyl ester
中文名:	Carbamic acid, N-[[[2-[[4-[4-(3-bromo-4-fluorophenyl)-4,5-dihydro-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethyl]a
CAS编号:	1204669-69-1
化学分子式：	C₁₇H₁₉BRFN₇O₇S
化学分子量：	564.3 g/mol
SMILES：	CC(C)(C)OC(=O)NS(=O)(=O)NCCNC1=NON=C1C2=NOC(=O)N2C3=CC(=C(C=C3)F)Br
来源：	合成化合物
结构类型：	-
其它名称或标识：	-

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	500mg	98%	7440	-20℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 53 55 0 0 0 0 0 0 0999 V2000 -4.6665 -2.6110 -1.0033 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.1215 -2.7681 0.9087 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1636 -3.8705 -2.2682 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4288 0.4449 0.7559 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6869 3.6093 -1.3306 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 -3.0585 -0.5103 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4568 -3.8224 1.8485 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3213 1.5757 2.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -0.3945 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0813 2.1098 -2.8513 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6439 -2.0646 1.4239 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1339 0.1407 2.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -1.4687 1.1764 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3340 1.4913 -1.0895 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 0.6764 2.8282 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 3.5187 -0.2079 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8772 2.2605 1.2381 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 1.5101 -0.1146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8047 2.3934 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5815 2.3043 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5005 0.9066 -1.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 -1.4184 2.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7982 -0.8537 3.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3405 0.8203 1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5398 -0.4504 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6557 1.7779 1.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8613 2.2695 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5519 0.1188 -1.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5747 2.3389 -1.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7824 -0.4719 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5341 -0.6372 -1.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -1.8186 -1.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7470 -1.9840 -2.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9776 -2.5746 -1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6757 1.8139 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3375 2.7895 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1564 3.2361 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 1.8267 -1.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9412 2.4909 0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8659 3.2759 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2148 0.1265 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8132 0.4614 -2.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0509 1.6785 -1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8395 -2.1519 3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3185 -0.6011 2.7901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5354 -1.6653 2.9725 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8282 -0.4063 4.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 -1.5118 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4110 0.3679 1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5976 -1.3805 2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 0.1080 -0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4459 -0.2191 -2.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0466 -2.5745 -2.7136 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 34 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 16 1 0 0 0 0 5 29 1 0 0 0 0 8 15 1 0 0 0 0 8 17 1 0 0 0 0 9 25 2 0 0 0 0 10 29 2 0 0 0 0 11 22 1 0 0 0 0 11 48 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 12 49 1 0 0 0 0 13 25 1 0 0 0 0 13 50 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 24 2 0 0 0 0 16 27 2 0 0 0 0 17 26 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 34 2 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

tert-butyl N-[2-[[4-[4-(3-bromo-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]amino]ethylsulfamoyl]carbamate

4.2 InChl

InChI=1S/C17H19BrFN7O7S/c1-17(2,3)31-15(27)25-34(29,30)21-7-6-20-13-12(22-33-23-13)14-24-32-16(28)26(14)9-4-5-11(19)10(18)8-9/h4-5,8,21H,6-7H2,1-3H3,(H,20,23)(H,25,27)

4.3 InChlKey

VWOMOYGWCJQWQR-UHFFFAOYSA-N

4.4 Canonical SMILES

CC(C)(C)OC(=O)NS(=O)(=O)NCCNC1=NON=C1C2=NOC(=O)N2C3=CC(=C(C=C3)F)Br

4.5 lsomeric SMILES

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型