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-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)acetamide
Compound characteristics
| Compound ID: | G641-0422 |
| 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-(5-chloro-2-methylphenyl)acetamide |
| Molecular Weight: | 547.09 |
| Molecular Formula: | C25 H27 Cl N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(CC4CCCO4)C(=Nc3sc2C1)SCC(Nc1cc(ccc1C)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8805 |
| logD: | 2.8804 |
| logSw: | -3.8635 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.829 |
| InChI Key: | BIUZAQMJPMSENL-QGZVFWFLSA-N |