2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[4-(methanesulfonyl)phenyl]acetamide
Chemical Structure Depiction of
2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[4-(methanesulfonyl)phenyl]acetamide
2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[4-(methanesulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L392-1938 |
| Compound Name: | 2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[4-(methanesulfonyl)phenyl]acetamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CC(C)C1=NC2CN(CCC=2C(N1CC(Nc1ccc(cc1)S(C)(=O)=O)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2725 |
| logD: | 0.636 |
| logSw: | -2.7893 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.964 |
| InChI Key: | KCERMNUBBNDGBT-UHFFFAOYSA-N |