(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
Grundinformationen
- Standard-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- Summenformel
- C35H36FN5O4S
- Durchschnittliche Molmasse
- 641,8 g/mol
Namen und Bezeichner
- Bevorzugter Name
- (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
Namen und Synonyme
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
Datenbank-Bezeichner
- PubChem CID
- 68096331
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 123 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 9
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 46
- Formalladung
- 0
- Komplexität
- 1.260
Zugehörige Reaktionen
1
Notizen zur Verbindung
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