1-((tert-Butyldimethylsilyl)oxy)-4-(4-chlorothiazol-2-yl)-4-(5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-7-yl)butan-2-yl methanesulfonate
기본 정보
- 표준 SMILES
Cn1c(=O)c2c(-c3cccc(F)c3)[nH]c(C(CC(CO[Si](C)(C)C(C)(C)C)OS(C)(=O)=O)c3nc(Cl)cs3)c2n(C)c1=O- InChIKey
BSNBZBCQFYERGY-UHFFFAOYSA-N- 분자식
- C28H36ClFN4O6S2Si
- 평균 분자량
- 671.3 g/mol
이름 및 식별자
- 우선 이름
- 1-((tert-Butyldimethylsilyl)oxy)-4-(4-chlorothiazol-2-yl)-4-(5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-7-yl)butan-2-yl methanesulfonate
- IUPAC
- [1-[tert-butyl(dimethyl)silyl]oxy-4-(4-chloro-1,3-thiazol-2-yl)-4-[5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-6H-pyrrolo[3,4-d]pyrimidin-7-yl]butan-2-yl] methanesulfonate
이름 및 동의어
SCHEMBL15795182BSNBZBCQFYERGY-UHFFFAOYSA-N1-((tert-Butyldimethylsilyl)oxy)-4-(4-chlorothiazol-2-yl)-4-(5-(3-fluorophenyl)-1,3-dimethyl-2,4-dioxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-7-yl)butan-2-yl methanesulfonate
데이터베이스 식별자
- PubChem CID
- 86723501
물성
구조 계산 물성
- 극성 표면적
- 159 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,140
관련 반응
2건
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