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-(3-acetylphenyl)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-(3-acetylphenyl)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-(3-acetylphenyl)acetamide
Compound characteristics
| Compound ID: | G641-0174 |
| 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-(3-acetylphenyl)acetamide |
| Molecular Weight: | 546.67 |
| Molecular Formula: | C28 H26 N4 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(CSC1=Nc2c(C(N1c1ccccc1C)=O)c1CCN(Cc1s2)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6762 |
| logD: | 3.6761 |
| logSw: | -4.2601 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.787 |
| InChI Key: | XIRJJPLSZXSSNC-UHFFFAOYSA-N |