(2R,3S,4R,5S)-4-(4-Chloro-2-fluoro-phenyl)-3-(3-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (4-carbamoyl-3-trifluoromethyl-phenyl)-amide

HCID 53357096
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基本信息

标准SMILES
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(N)=O)c(C(F)(F)F)c2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
InChIKey
POMZRDCBXZSMFJ-FQFMIMTMSA-N
分子式
C31H27Cl2F5N4O2
平均分子量
653.5 g/mol

名称与标识

首选名称
(2R,3S,4R,5S)-4-(4-Chloro-2-fluoro-phenyl)-3-(3-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (4-carbamoyl-3-trifluoromethyl-phenyl)-amide
IUPAC
(2R,3S,4R,5S)-N-[4-carbamoyl-3-(trifluoromethyl)phenyl]-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide

名称与别名

(2R,3S,4R,5S)-4-(4-Chloro-2-fluoro-phenyl)-3-(3-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid (4-carbamoyl-3-trifluoromethyl-phenyl)-amideSCHEMBL2332565

数据库标识

PubChem CID
53357096

性质

结构计算性质

XLogP
6.8
极性表面积
108 Ų
氢键供体
3
氢键受体
9
可旋转键
7
重原子
44

相关反应

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