4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(cis-3,5-dimethyl-piperazine-1-sulfonylmethyl)-phenyl]-amide
기본 정보
- 표준 SMILES
C[C@@H]1CN(S(=O)(=O)Cc2ccc(NC(=O)c3nc(C#N)cn3COCC[Si](C)(C)C)c(C3=CCCCC3)c2)C[C@H](C)N1- InChIKey
JGDKQBSSSUWWEM-ZRZAMGCNSA-N- 분자식
- C30H44N6O4SSi
- 평균 분자량
- 612.9 g/mol
- 단동위원소 질량
- 612.29140161
이름 및 식별자
- 우선 이름
- 4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(cis-3,5-dimethyl-piperazine-1-sulfonylmethyl)-phenyl]-amide
- IUPAC
- 4-cyano-N-[2-(cyclohexen-1-yl)-4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]sulfonylmethyl]phenyl]-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
이름 및 동의어
SCHEMBL14383466JGDKQBSSSUWWEM-ZRZAMGCNSA-N4-Cyano-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazole-2-carboxylic acid [2-cyclohex-1-enyl-4-(cis-3,5-dimethyl-piperazine-1-sulfonylmethyl)-phenyl]-amide
데이터베이스 식별자
- PubChem CID
- 58994412
물성
구조 계산 물성
- 극성 표면적
- 138 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,100
관련 반응
4건
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