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-(2-ethylphenyl)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-(2-ethylphenyl)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-(2-ethylphenyl)acetamide
Compound characteristics
| Compound ID: | G641-0082 |
| 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-(2-ethylphenyl)acetamide |
| Molecular Weight: | 532.68 |
| Molecular Formula: | C28 H28 N4 O3 S2 |
| Smiles: | CCc1ccccc1NC(CSC1=Nc2c(C(N1c1ccc(C)cc1)=O)c1CCN(Cc1s2)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4301 |
| logD: | 4.4301 |
| logSw: | -4.2394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.563 |
| InChI Key: | NWFOTSKMMOVWEL-UHFFFAOYSA-N |