2-({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
2-({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G641-0328 |
| Compound Name: | 2-({7-acetyl-3-[(furan-2-yl)methyl]-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 522.64 |
| Molecular Formula: | C26 H26 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccco4)C(=Nc3sc2C1)SCC(Nc1ccc(C)c(C)c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2215 |
| logD: | 4.2215 |
| logSw: | -4.3062 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.621 |
| InChI Key: | XKRKCQWHOHBFLP-UHFFFAOYSA-N |