2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | G641-0274 |
| Compound Name: | 2-[(7-acetyl-3-benzyl-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide |
| Molecular Weight: | 539.07 |
| Molecular Formula: | C26 H23 Cl N4 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(Cc4ccccc4)C(=Nc3sc2C1)SCC(Nc1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7342 |
| logD: | 4.7341 |
| logSw: | -4.9541 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.872 |
| InChI Key: | NGNKLHVCHPSANI-UHFFFAOYSA-N |