(S)-N-(1-(3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-2-(2-hydroxypropan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-4-carboxamide
기본 정보
- 표준 SMILES
C[C@@H](Cn1ccc(-c2cc(F)c(C#N)c(Cl)c2)n1)NC(=O)c1cn(COCC[Si](C)(C)C)c(C(C)(C)O)n1- InChIKey
AXDQVOZFHXSOCL-KRWDZBQOSA-N- 분자식
- C26H34ClFN6O3Si
- 평균 분자량
- 561.1 g/mol
이름 및 식별자
- 우선 이름
- (S)-N-(1-(3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-2-(2-hydroxypropan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-4-carboxamide
- IUPAC
- N-[(2S)-1-[3-(3-chloro-4-cyano-5-fluorophenyl)pyrazol-1-yl]propan-2-yl]-2-(2-hydroxypropan-2-yl)-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxamide
이름 및 동의어
SCHEMBL16330854AXDQVOZFHXSOCL-KRWDZBQOSA-N(S)-N-(1-(3-(3-Chloro-4-cyano-5-fluorophenyl)-1H-pyrazol-1-yl)propan-2-yl)-2-(2-hydroxypropan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole-4-carboxamide
데이터베이스 식별자
- PubChem CID
- 86714653
물성
구조 계산 물성
- 극성 표면적
- 118 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 855
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