2-{[7-acetyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
2-{[7-acetyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
2-{[7-acetyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-3688 |
| Compound Name: | 2-{[7-acetyl-3-(3-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C20 H20 N4 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(N)=O)c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8445 |
| logD: | 1.8445 |
| logSw: | -2.5114 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.771 |
| InChI Key: | TWKWYAYDPJAHQO-UHFFFAOYSA-N |