N-Cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-{[(2R)-2-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl]-4-methylbenzamide
기본 정보
- 표준 SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO)cc(CN3CCNC[C@H]3C)c2c1- InChIKey
DTFAURHMZDMFJA-LJQANCHMSA-N- 분자식
- C31H39FN4O3
- 평균 분자량
- 534.7 g/mol
이름 및 식별자
- 우선 이름
- N-Cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-{[(2R)-2-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl]-4-methylbenzamide
- IUPAC
- N-cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-[[(2R)-2-methylpiperazin-1-yl]methyl]-1-oxoisoquinolin-6-yl]-4-methylbenzamide
이름 및 동의어
SCHEMBL1710723DTFAURHMZDMFJA-LJQANCHMSA-NN-Cyclopropyl-3-fluoro-5-[2-(3-hydroxy-2,2-dimethylpropyl)-4-{[(2R)-2-methylpiperazin-1-yl]methyl}-1-oxo-1,2-dihydroisoquinolin-6-yl]-4-methylbenzamide
데이터베이스 식별자
- PubChem CID
- 45109830
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 84.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 937
관련 반응
2건
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