HCID11444140

(1R,2R)-2-{[4-(3-fluoro-4-{[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[4-[3-fluoro-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid

C27H20F4N2O4S544.5 g/mol

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IDENTITY

结构与身份

标准SMILES: O=C(O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(Nc3nc4ccc(OC(F)(F)F)cc4s3)c(F)c2)cc1
InChIKey: DMGWDGVBODDSLT-RTBURBONSA-N
分子式: C27H20F4N2O4S
平均分子量: 544.5 g/mol
单同位素质量: 544.10799095

COMPUTED

结构计算性质

已同步

XLogP: 7.4
极性表面积: 117 Å²
氢键供体: 2
氢键受体: 11
可旋转键: 7
重原子: 38
形式电荷: 0
复杂度: 855

ALIASES

名称与别名

共 7 条

(1R,2R)-2-{[4-(3-fluoro-4-{[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acidCHEMBL401117SCHEMBL1747978Biaryl keto acid derivative, 1BDBM20730(1R,2R)-2-({3'-Fluoro-4'-[(6-trifluoromethoxy-1,3-benzothiazol-2-yl)amino]-1,1'-biphenyl-4-yl}carbonyl)-cyclopentanecarboxylic acid(1R,2R)-2-({3'-fluoro-4'-[(6-trifluoromethoxy-1,3-benzothiazol-2-yl)amino]-1,1'-biphenyl-4-yl}carbonyl)cyclopentanecarboxylic acid

REACTIONS