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 [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide

HCID 75630512
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기본 정보

표준 SMILES
CC(C)(C)CC1CN(C(=O)Nc2ccn(CC(C)(C)O)n2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey
AGQKYNFVLMRTCY-UHFFFAOYSA-N
분자식
C30H33Cl2F2N5O2
평균 분자량
604.5 g/mol
단동위원소 질량
603.197937

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 [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide
IUPAC
2-(3-chloro-2-fluorophenyl)-3-(4-chloro-2-fluorophenyl)-3-cyano-4-(2,2-dimethylpropyl)-N-[1-(2-hydroxy-2-methylpropyl)pyrazol-3-yl]pyrrolidine-1-carboxamide

이름 및 동의어

AGQKYNFVLMRTCY-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 [1-(2-hydroxy-2-methyl-propyl)-1H-pyrazol-3-yl]-amide

데이터베이스 식별자

PubChem CID
75630512

물성

구조 계산 물성

XLogP
5.9
극성 표면적
94.2 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
41

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