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}-N-(2,4-dimethoxyphenyl)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}-N-(2,4-dimethoxyphenyl)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}-N-(2,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3685 |
| 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}-N-(2,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 564.68 |
| Molecular Formula: | C28 H28 N4 O5 S2 |
| Smiles: | CC(N1CCc2c3C(N(C(=Nc3sc2C1)SCC(Nc1ccc(cc1OC)OC)=O)c1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7508 |
| logD: | 3.7507 |
| logSw: | -4.233 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.737 |
| InChI Key: | ZMXHFJADHHUTIZ-UHFFFAOYSA-N |