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 piperidin-4-ylamide trifluoroacetic acid

HCID 87344720
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기본 정보

표준 SMILES
CC(C)(C)CC1NC(C(=O)NC2CCNCC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F.O=C(O)C(F)(F)F
InChIKey
UEGICIHXSPIBAP-UHFFFAOYSA-N
분자식
C30H33Cl2F5N4O3
평균 분자량
663.5 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 piperidin-4-ylamide trifluoroacetic acid
IUPAC
3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-(2,2-dimethylpropyl)-N-piperidin-4-ylpyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid

이름 및 동의어

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 piperidin-4-ylamide trifluoroacetic acidSCHEMBL2152257

데이터베이스 식별자

PubChem CID
87344720

물성

구조 계산 물성

극성 표면적
114 Ų
수소 결합 공여자 수
4
수소 결합 수용자 수
11
회전 가능 결합 수
6
무거운 원자 수
44

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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 piperidin-4-ylamide trifluoroacetic acid (HCID 87344720)｜Huagongshe