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-(2-fluorophenyl)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-(2-fluorophenyl)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-(2-fluorophenyl)acetamide
Compound characteristics
Compound ID: | G641-0426 |
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-(2-fluorophenyl)acetamide |
Molecular Weight: | 516.61 |
Molecular Formula: | C24 H25 F N4 O4 S2 |
Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCC(Nc1ccccc1F)=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.2035 |
logD: | 2.2034 |
logSw: | -2.6418 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.829 |
InChI Key: | NTKIGTVFJKSNQF-OAHLLOKOSA-N |