(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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기본 정보

표준 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
분자식
C31H27Cl2F5N4O2
평균 분자량
653.5 g/mol

이름 및 식별자

우선 이름
(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

이름 및 동의어

(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

데이터베이스 식별자

PubChem CID
53357096

물성

구조 계산 물성

XLogP
6.8
극성 표면적
108 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
44

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