2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[3-(methylsulfanyl)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-[3-(methylsulfanyl)phenyl]acetamide
2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L392-1858 |
| Compound Name: | 2-[7-benzyl-4-oxo-2-(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3(4H)-yl]-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 462.61 |
| Molecular Formula: | C26 H30 N4 O2 S |
| Smiles: | CC(C)C1=NC2CN(CCC=2C(N1CC(Nc1cccc(c1)SC)=O)=O)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9165 |
| logD: | 2.2801 |
| logSw: | -3.8991 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.215 |
| InChI Key: | CSCACEXOWHWELG-UHFFFAOYSA-N |