rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (6-cyano-pyridin-3-yl)-amide

HCID 76741127

기본 정보

표준 SMILES
CC(C)(C)CC1NC(C(=O)Nc2ccc(C#N)nc2)C(c2cccc(Cl)c2F)C12C(=O)Nc1cc(Cl)ccc12
InChIKey
TWRIQGLHLFWKHG-UHFFFAOYSA-N
분자식
C29H26Cl2FN5O2
평균 분자량
566.4 g/mol

이름 및 식별자

우선 이름
rac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (6-cyano-pyridin-3-yl)-amide
IUPAC
6-chloro-3'-(3-chloro-2-fluorophenyl)-N-(6-cyano-3-pyridinyl)-5'-(2,2-dimethylpropyl)-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

이름 및 동의어

TWRIQGLHLFWKHG-UHFFFAOYSA-Nrac-(2'S,3'R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluoro-phenyl)-2'-(2,2-dimethyl-propyl)-2-oxo-1,2-dihydro-spiro[indole-3,3'-pyrrolidine]-5'-carboxylic acid (6-cyano-pyridin-3-yl)-amide

데이터베이스 식별자

PubChem CID
76741127

물성

구조 계산 물성

XLogP
5.1
극성 표면적
107 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
6
회전 가능 결합 수
5
무거운 원자 수
39

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