기본 정보
- 표준 SMILES
C[C@H]1CCc2c(ccc(-c3ncc(C4=CCN(C(=O)OC(C)(C)C)CC4)n3COCC[Si](C)(C)C)c2OC2CCC2)N1C(=O)C1CC1- InChIKey
HMMCJCVHPRWFIU-VWLOTQADSA-N- 분자식
- C37H54N4O5Si
- 평균 분자량
- 662.9 g/mol
- 단동위원소 질량
- 662.38634737
이름 및 식별자
- 우선 이름
- tert-butyl 4-(2-((S)-5-cyclobutoxy-1-(cyclopropanecarbonyl)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)-5,6-dihydropyridine-1(2H)-carboxylate
- IUPAC
- tert-butyl 4-[2-[(2S)-5-cyclobutyloxy-1-(cyclopropanecarbonyl)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
이름 및 동의어
SCHEMBL16717272HMMCJCVHPRWFIU-VWLOTQADSA-Ntert-butyl 4-(2-((S)-5-cyclobutoxy-1-(cyclopropanecarbonyl)-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-5-yl)-5,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-[2-[(2S)-5-cyclobutoxy-1-cyclopropanecarbonyl-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]-1-[[2-(trimethylsilyl)ethoxy]methyl]-1H-imidazol-5-yl]-1,2,3,6-tetrahydropyridine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 123496888
물성
구조 계산 물성
- 극성 표면적
- 86.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,140
관련 반응
2건
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