1-(4-羟基环己基)-2-[[5-(2-三氟甲氧基苯基)-1H-吲唑-3-基]氨基]-1H-苯并咪唑-5-羧酸 (3-甲基丁基)酰胺

CAS号
1012104-68-5
CCD编号
CCD07499669
分子式
C33 H35 F3 N6 O3
分子量
620.672

基本信息

产品名称: 1-(4-羟基环己基)-2-[[5-(2-三氟甲氧基苯基)-1H-吲唑-3-基]氨基]-1H-苯并咪唑-5-羧酸 (3-甲基丁基)酰胺
CAS: 1012104-68-5
中文同义词: 1-(4-羟基环己基)-2-[[5-(2-三氟甲氧基苯基)-1H-吲唑-3-基]氨基]-1H-苯并咪唑-5-羧酸 (3-甲基丁基)酰胺
英文同义词: 1-((1R,4R)-4-HYDROXYCYCLOHEXYL)-N-ISOPENTYL-2-(5-(2-(TRIFLUOROMETHOXY)PHENYL)-1H-INDAZOL-3-YLAMINO)-1H-BENZIMIDAZOLE-5-CARBOXYLIC ACID (3-METHYLBUTYL)AMIDE
MDL号: MFCD22573349
氢键受体数量: 9
氢键供体数量: 4
Smile: CC(C)CCNC(=O)c1ccc2c(c1)nc(n2[C@H]3CC[C@@H](CC3)O)Nc4c5cc(ccc5[nH]n4)c6ccccc6OC(F)(F)F
InChi: InChI=1S/C33H35F3N6O3/c1-19(2)15-16-37-31(44)21-8-14-28-27(18-21)38-32(42(28)22-9-11-23(43)12-10-22)39-30-25-17-20(7-13-26(25)40-41-30)24-5-3-4-6-29(24)45-33(34,35)36/h3-8,13-14,17-19,22-23,43H,9-12,15-16H2,1-2H3,(H,37,44)(H2,38,39,40,41)/t22-,23-
InChiKey: InChIKey=QZMAOGLWCNTFCG-YHBQERECSA-N

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