기본 정보
- 표준 SMILES
CCOC(=O)c1nc(N2CCc3cccc(C(=O)N(COCC[Si](C)(C)C)c4nc5ccccc5s4)c3C2)sc1-c1ccc(COc2ccc(-c3nn(C(=O)OC(C)(C)C)c(N)c3C#N)cc2)cc1- InChIKey
IUMXMAWPLYWEHD-UHFFFAOYSA-N- 분자식
- C51H54N8O7S2Si
- 평균 분자량
- 983.2 g/mol
이름 및 식별자
- 우선 이름
- ethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate
- IUPAC
- ethyl 5-[4-[[4-[5-amino-4-cyano-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazol-3-yl]phenoxy]methyl]phenyl]-2-[8-[1,3-benzothiazol-2-yl(2-trimethylsilylethoxymethyl)carbamoyl]-3,4-dihydro-1H-isoquinolin-2-yl]-1,3-thiazole-4-carboxylate
이름 및 동의어
SCHEMBL2494586IUMXMAWPLYWEHD-UHFFFAOYSA-Nethyl 5-(4-((4-(5-amino-1-(tert-butoxycarbonyl)-4-cyano-1H-pyrazol-3-yl)phenoxy)methyl)phenyl)-2-(8-(benzo[d]thiazol-2-yl((2-(trimethylsilyl)ethoxy)methyl)carbamoyl)-3,4-dihydroisoquinolin-2(1H)-yl)thiazole-4-carboxylate
데이터베이스 식별자
- PubChem CID
- 59447596
물성
구조 계산 물성
- 극성 표면적
- 245 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 18
- 무거운 원자 수
- 69
- 형식 전하
- 0
- 복잡도
- 1,790
관련 반응
19건
화합물 노트
불러오는 중…