기본 정보
- 표준 SMILES
Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO[Si](C)(C)C(C)(C)C)cc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)[C@@H](CO)C3)c2c1- InChIKey
LPVIVXKPWPKBJI-SSEXGKCCSA-N- 분자식
- C41H59FN4O8SSi
- 평균 분자량
- 815.1 g/mol
이름 및 식별자
- 우선 이름
- tert-Butyl (2R)-4-({2-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxo-1,2-dihydroisoquinolin-4-yl}sulfonyl)-2-(hydroxymethyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl (2R)-4-[2-[3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylpropyl]-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxoisoquinolin-4-yl]sulfonyl-2-(hydroxymethyl)piperazine-1-carboxylate
이름 및 동의어
LPVIVXKPWPKBJI-SSEXGKCCSA-Ntert-Butyl (2R)-4-({2-(3-{[tert-butyl(dimethyl)silyl]oxy}-2,2-dimethylpropyl)-6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-1-oxo-1,2-dihydroisoquinolin-4-yl}sulfonyl)-2-(hydroxymethyl)piperazine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 86640972
물성
구조 계산 물성
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 14
- 무거운 원자 수
- 56
- 형식 전하
- 0
- 복잡도
- 1,600
관련 반응
2건
화합물 노트
불러오는 중…