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-benzylacetamide
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-benzylacetamide
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-benzylacetamide
Compound characteristics
| Compound ID: | G641-0133 |
| 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-benzylacetamide |
| Molecular Weight: | 518.66 |
| Molecular Formula: | C27 H26 N4 O3 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(NCc1ccccc1)=O)c1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6166 |
| logD: | 3.6166 |
| logSw: | -3.9885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.282 |
| InChI Key: | UPBNXBCHXVMROJ-UHFFFAOYSA-N |