2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Chemical Structure Depiction of
2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide
Compound characteristics
| Compound ID: | G641-0447 |
| Compound Name: | 2-({7-acetyl-4-oxo-3-[(oxolan-2-yl)methyl]-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-difluorophenyl)acetamide |
| Molecular Weight: | 534.6 |
| Molecular Formula: | C24 H24 F2 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCC(Nc1ccc(c(c1)F)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.78 |
| logD: | 2.7751 |
| logSw: | -3.3116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.527 |
| InChI Key: | WSJVUASRXYEFJC-OAHLLOKOSA-N |