2-{[7-acetyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
2-{[7-acetyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | G641-0065 |
| Compound Name: | 2-{[7-acetyl-3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C25 H24 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(NCc1ccco1)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3625 |
| logD: | 3.3625 |
| logSw: | -3.672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.332 |
| InChI Key: | XGGNEEDMZKRADC-UHFFFAOYSA-N |