2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G641-0141 |
| Compound Name: | 2-{[7-acetyl-3-(2-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-chlorophenyl)acetamide |
| Molecular Weight: | 539.07 |
| Molecular Formula: | C26 H23 Cl N4 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(Nc1ccccc1[Cl])=O)c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9861 |
| logD: | 3.986 |
| logSw: | -4.4097 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.262 |
| InChI Key: | TYYHUPPBKYZSJG-UHFFFAOYSA-N |