(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylazetidin-3-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate
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기본 정보
- 표준 SMILES
CC(=O)OCc1c(-c2cn(C)c(=O)c(Nc3ccc(C4CN(C)C4)cc3)n2)cc(F)cc1N1CCc2c(sc3c2CC(C)(C)C3)C1=O- InChIKey
PUDQCTUMBNILDS-UHFFFAOYSA-N- 분자식
- C36H38FN5O4S
- 평균 분자량
- 655.8 g/mol
이름 및 식별자
- 우선 이름
- (2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylazetidin-3-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate
- IUPAC
- [2-(4,4-dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl)-4-fluoro-6-[4-methyl-6-[4-(1-methylazetidin-3-yl)anilino]-5-oxopyrazin-2-yl]phenyl]methyl acetate
이름 및 동의어
SCHEMBL10289855PUDQCTUMBNILDS-UHFFFAOYSA-N(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1 (8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylazetidin-3-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate(2-{4,4-Dimethyl-9-oxo-7-thia-10-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-10-yl}-4-fluoro-6-(4-methyl-6-{[4-(1-methylazetidin-3-yl)phenyl]amino}-5-oxo-4,5-dihydropyrazin-2-yl)phenyl)methyl Acetate
데이터베이스 식별자
- PubChem CID
- 68096614
물성
구조 계산 물성보충 중
- XLogP
- 4.7
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 47
- 형식 전하
- 0
- 복잡도
- 1,310
관련 반응
2건
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