rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (4-cyano-phenyl)-amide

HCID 75630686

기본 정보

표준 SMILES
CC(C)(C)CC1CN(C(=O)Nc2ccc(C#N)cc2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey
MLCQJCHWFBDSAU-UHFFFAOYSA-N
분자식
C30H26Cl2F2N4O
평균 분자량
567.5 g/mol

이름 및 식별자

우선 이름
rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (4-cyano-phenyl)-amide
IUPAC
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-N-(4-cyanophenyl)-4-(2,2-dimethylpropyl)pyrrolidine-1-carboxamide

이름 및 동의어

MLCQJCHWFBDSAU-UHFFFAOYSA-Nrac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (4-cyano-phenyl)-amide

데이터베이스 식별자

PubChem CID
75630686

물성

구조 계산 물성

XLogP
7.1
극성 표면적
79.9 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
39

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4건

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