(3R)-tert-Butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl)-3-methylpiperazine-1-carboxylate
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기본 정보
- 표준 SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2c1- InChIKey
ISIDXDWARCJZJY-JOCHJYFZSA-N- 분자식
- C36H47FN4O5
- 평균 분자량
- 634.8 g/mol
- 단동위원소 질량
- 634.35304877
이름 및 식별자
- 우선 이름
- (3R)-tert-Butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl)-3-methylpiperazine-1-carboxylate
- IUPAC
- tert-butyl (3R)-4-[[6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate
이름 및 동의어
SCHEMBL2396591ISIDXDWARCJZJY-JOCHJYFZSA-N(3R)-tert-butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl)-methyl)-3-methylpiperazine-1-carboxylate(3R)-tert-Butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl)-3-methylpiperazine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 67391573
물성
구조 계산 물성보충 중
- XLogP
- 4.4
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,170
관련 반응
2건
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