(S)-5-Oxopyrrolidine-3-carboxylic acid{1-(2-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
기본 정보
- 표준 SMILES
C[C@@H](OCc1cc(F)cc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2-c2ccccc2F)c1)C(F)(F)F- InChIKey
SIHRLCVYYZSUKN-CJNGLKHVSA-N- 분자식
- C24H21F5N4O3
- 평균 분자량
- 508.4 g/mol
이름 및 식별자
- 우선 이름
- (S)-5-Oxopyrrolidine-3-carboxylic acid{1-(2-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
- IUPAC
- (3S)-N-[1-(2-fluorophenyl)-5-[3-fluoro-5-[[(2R)-1,1,1-trifluoropropan-2-yl]oxymethyl]phenyl]pyrazol-3-yl]-5-oxopyrrolidine-3-carboxamide
이름 및 동의어
(S)-5-Oxopyrrolidine-3-carboxylic acid{1-(2-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amideCHEMBL3639897SCHEMBL14749772SCHEMBL30641986SCHEMBL30641987BDBM132954US8846746, 237(S)-5-Oxopyrrolidine-3-carboxylic acid {1-(2-fluorophenyl)-5-[3-fluoro-5-((R)-2,2,2-trifluoro-1-methylethoxymethyl)phenyl]-1H-pyrazol-3-yl}amide
데이터베이스 식별자
- PubChem CID
- 71287722
- ChEMBL
CHEMBL3639897
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 85.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 787
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1건
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