기본 정보
- 표준 SMILES
CC(=O)OCc1c(-c2cc(Nc3ccc4c(n3)CCN(C)C4)c(=O)n(C)c2)cc(F)cc1N1CCc2c(sc3c2CCCC3)C1=O- InChIKey
GCNSEIMZSLAESL-UHFFFAOYSA-N- 분자식
- C35H36FN5O4S
- 평균 분자량
- 641.8 g/mol
이름 및 식별자
- 우선 이름
- (4-Fluoro-2-{1-methyl-5-[(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7] trideca-1(9),2(7)-dien-5-yl}phenyl)methyl Acetate
- IUPAC
- [4-fluoro-2-[1-methyl-5-[(6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-yl)amino]-6-oxo-3-pyridinyl]-6-(1-oxo-3,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-c]pyridin-2-yl)phenyl]methyl acetate
이름 및 동의어
SCHEMBL10289453GCNSEIMZSLAESL-UHFFFAOYSA-N(4-Fluoro-2-{1-methyl-5-[(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7] trideca-1(9),2(7)-dien-5-yl}phenyl)methyl Acetate(4-Fluoro-2-{1-methyl-5-[(6-methyl-5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)amino]-6-oxo-1,6-dihydropyridin-3-yl}-6-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}phenyl)methyl Acetate
데이터베이스 식별자
- PubChem CID
- 68096331
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 46
- 형식 전하
- 0
- 복잡도
- 1,260
관련 반응
1건
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