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-(4-ethoxyphenyl)acetamide
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-(4-ethoxyphenyl)acetamide
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-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-3839 |
| 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-(4-ethoxyphenyl)acetamide |
| Molecular Weight: | 548.68 |
| Molecular Formula: | C28 H28 N4 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2c(C(N1c1ccccc1C)=O)c1CCN(Cc1s2)C(C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3042 |
| logD: | 4.3042 |
| logSw: | -4.2343 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.084 |
| InChI Key: | RAOKOEXSQXVLBD-UHFFFAOYSA-N |