기본 정보
- 표준 SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)COC(=O)C(C)(C)C)cc(CN3CCN(C(=O)OC(C)(C)C)C[C@H]3C)c2c1- InChIKey
NGVUBAYPACRHFH-RUZDIDTESA-N- 분자식
- C41H55FN4O6
- 평균 분자량
- 718.9 g/mol
이름 및 식별자
- 우선 이름
- (3R)-tert-Butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(2,2-dimethyl-3-(pivaloyloxy)propyl)-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-(2,2-dimethylpropanoyloxy)-2,2-dimethylpropyl]-1-oxoisoquinolin-4-yl]methyl]-3-methylpiperazine-1-carboxylate
이름 및 동의어
NGVUBAYPACRHFH-RUZDIDTESA-N(3R)-tert-Butyl 4-((6-(5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl)-2-(2,2-dimethyl-3-(pivaloyloxy)propyl)-1-oxo-1,2-dihydroisoquinolin-4-yl)methyl)-3-methylpiperazine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 86640984
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,370
관련 반응
2건
화합물 노트
불러오는 중…