2-tert-butyl-5-(3-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-6-oxo-1-((2-(trimethylsilyl)ethoxy)methyl)-1,6-dihydropyridazin-3-yl)-2-methylphenyl)-4H-pyrrolo[3,4-d]thiazol-6(5H)-one
기본 정보
- 표준 SMILES
Cc1c(-c2cc(Nc3cc(C)n(C)n3)c(=O)n(COCC[Si](C)(C)C)n2)cccc1N1Cc2nc(C(C)(C)C)sc2C1=O- InChIKey
SLYCICCTTSNVSY-UHFFFAOYSA-N- 분자식
- C31H41N7O3SSi
- 평균 분자량
- 619.9 g/mol
- 단동위원소 질량
- 619.2760859
이름 및 식별자
- 우선 이름
- 2-tert-butyl-5-(3-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-6-oxo-1-((2-(trimethylsilyl)ethoxy)methyl)-1,6-dihydropyridazin-3-yl)-2-methylphenyl)-4H-pyrrolo[3,4-d]thiazol-6(5H)-one
- IUPAC
- 2-tert-butyl-5-[3-[5-[(1,5-dimethylpyrazol-3-yl)amino]-6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-2-methylphenyl]-4H-pyrrolo[3,4-d][1,3]thiazol-6-one
이름 및 동의어
SCHEMBL173785SLYCICCTTSNVSY-UHFFFAOYSA-N2-tert-butyl-5-(3-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-6-oxo-1-((2-(trimethylsilyl)ethoxy)methyl)-1,6-dihydropyridazin-3-yl)-2-methylphenyl)-4H-pyrrolo[3,4-d]thiazol-6(5H)-one
데이터베이스 식별자
- PubChem CID
- 66613527
물성
구조 계산 물성
- 극성 표면적
- 133 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,120
관련 반응
2건
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