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-(4-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-(4-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-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | G641-0417 |
| 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-(4-fluorophenyl)acetamide |
| Molecular Weight: | 516.61 |
| Molecular Formula: | C24 H25 F N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCC(Nc1ccc(cc1)F)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4524 |
| logD: | 2.4524 |
| logSw: | -2.769 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.527 |
| InChI Key: | CWLKWAUBMVCKNZ-QGZVFWFLSA-N |