기본 정보
- 표준 SMILES
Cc1cc(C(=O)N2CCC[C@@H]2CN2CC[C@H](F)C2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1- InChIKey
JWYRFNJRCOGFSX-SBNROJICSA-N- 분자식
- C30H30F2N4O2
- 평균 분자량
- 516.6 g/mol
이름 및 식별자
- 우선 이름
- 4-(3-Fluoro phenyl)-3-[1-{3-[(r)-2-((s)-3-fluoro-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-5-methyl-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
- IUPAC
- (3Z)-4-(3-fluorophenyl)-3-[[3-[(2R)-2-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-1H-indol-2-one
이름 및 동의어
SCHEMBL6321228JWYRFNJRCOGFSX-SBNROJICSA-N4-(3-fluoro phenyl)-3-[1-{3-[(r)-2-((s)-3-fluoro-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-5-methyl-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one4-(3-fluoro-phenyl)-3-[1-{3-[(r)-2-((s)-3-fluoro-pyrrolidin-1-ylmethyl)-pyrrolidine-1-carbonyl]-5-methyl-1h-pyrrol-2-yl}-meth-(z)-ylidene]-1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 60061579
물성
구조 계산 물성
- XLogP
- 4.4
- 극성 표면적
- 68.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 930
관련 반응
2건
화합물 노트
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