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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G641-0106 |
| 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-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C28 H28 N4 O4 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(NCc1ccc(cc1)OC)=O)c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5943 |
| logD: | 3.5942 |
| logSw: | -3.9584 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.127 |
| InChI Key: | RJRXXFUKHWBKBH-UHFFFAOYSA-N |