4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-(4-cyano-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide
기본 정보
- 표준 SMILES
CC1(C)CC=C(c2cc(C3(C#N)CCS(=O)(=O)CC3)ccc2NC(=O)c2nc(C#N)cn2COCC[Si](C)(C)C)CC1- InChIKey
KPIYCWBCPWTDGI-UHFFFAOYSA-N- 분자식
- C31H41N5O4SSi
- 평균 분자량
- 607.8 g/mol
- 단동위원소 질량
- 607.26485251
이름 및 식별자
- 우선 이름
- 4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-(4-cyano-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide
- IUPAC
- 4-cyano-N-[4-(4-cyano-1,1-dioxothian-4-yl)-2-(4,4-dimethylcyclohexen-1-yl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
이름 및 동의어
SCHEMBL14375006KPIYCWBCPWTDGI-UHFFFAOYSA-N4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [4-(4-cyano-1,1-dioxo-hexahydro-1lambda6-thiopyran-4-yl)-2-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-amide
데이터베이스 식별자
- PubChem CID
- 58995048
물성
구조 계산 물성
- 극성 표면적
- 146 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,220
관련 반응
4건
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