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 [5-((S)-1,2-dihydroxy-ethyl)-pyrazin-2-yl]-amide

HCID 86640456
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기본 정보

표준 SMILES
CC(C)(C)CC1NC(C(=O)Nc2cnc([C@H](O)CO)cn2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
InChIKey
NQTBZVSSSIOKLV-DAMJYOGMSA-N
분자식
C29H29Cl2F2N5O3
평균 분자량
604.5 g/mol

이름 및 식별자

우선 이름
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 [5-((S)-1,2-dihydroxy-ethyl)-pyrazin-2-yl]-amide
IUPAC
3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-N-[5-[(1S)-1,2-dihydroxyethyl]pyrazin-2-yl]-5-(2,2-dimethylpropyl)pyrrolidine-2-carboxamide

이름 및 동의어

NQTBZVSSSIOKLV-DAMJYOGMSA-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 [5-((S)-1,2-dihydroxy-ethyl)-pyrazin-2-yl]-amide

데이터베이스 식별자

PubChem CID
86640456

물성

구조 계산 물성

XLogP
3.8
극성 표면적
131 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
9
회전 가능 결합 수
8
무거운 원자 수
41

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