기본 정보
- 표준 SMILES
Cc1cc(C(=O)N2CCC[C@H]2CNCC2CC2)c(/C=C2\C(=O)Nc3cccc(-c4cccc(F)c4)c32)[nH]1- InChIKey
LTPDAVZWGDEJOZ-JOODZBNRSA-N- 분자식
- C30H31FN4O2
- 평균 분자량
- 498.6 g/mol
이름 및 식별자
- 우선 이름
- 3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl}-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
- IUPAC
- (3Z)-3-[[3-[(2S)-2-[(cyclopropylmethylamino)methyl]pyrrolidine-1-carbonyl]-5-methyl-1H-pyrrol-2-yl]methylidene]-4-(3-fluorophenyl)-1H-indol-2-one
이름 및 동의어
3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl)-5-methyl-1H-pyrrol-2-yl}-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one3-[1-(3-{(s)-2-[(cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl}-5-methyl-1h-pyrrol-2-yl)-meth-(z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-oneSCHEMBL6327114LTPDAVZWGDEJOZ-JOODZBNRSA-N3-[1-(3-{(S)-2-[(Cyclopropylmethyl-amino)-methyl]-pyrrolidine-1-carbonyl}-5-methyl-1 H-pyrrol-2-yl)-meth-(Z)-ylidene]-4-(3-fluoro-phenyl)-1,3-dihydro-indol-2-one
데이터베이스 식별자
- PubChem CID
- 60061516
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 77.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 891
관련 반응
2건
화합물 노트
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