HCID66666471

rac-(2R,3S,4R,5S)-3-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid tert-butyl ester

tert-butyl 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

C27H30Cl2F2N2O2523.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CC(C)(C)CC1NC(C(=O)OC(C)(C)C)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey: GVUURVYUUHABAS-UHFFFAOYSA-N
分子式: C27H30Cl2F2N2O2
平均分子量: 523.4 g/mol
单同位素质量: 522.1652399

COMPUTED

结构计算性质

已同步

XLogP: 7.1
极性表面积: 62.1 Å²
氢键供体: 1
氢键受体: 6
可旋转键: 7
重原子: 35
形式电荷: 0
复杂度: 820

ALIASES

名称与别名

共 6 条

C27H30Cl2F2N2O2SCHEMBL363753GVUURVYUUHABAS-UHFFFAOYSA-Nrac-(2R,3S,4R,5S)-3-(3-Chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid tert-butyl esterrac-(2S,3S,4R,5S)-3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethyl-propyl)-pyrrolidine-2-carboxylic acid tert-butyl estertert-butyl 3-(3-chloro-2-fluoro-phenyl)-4-(4-chloro-2-fluoro-phenyl)-4-cyano-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxylate

REACTIONS