2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-(3-methylphenyl)acetamide
2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | F236-0055 |
| Compound Name: | 2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(Nc3cccc(C)c3)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5256 |
| logD: | 2.5256 |
| logSw: | -2.9083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.879 |
| InChI Key: | NAKMGEZRCHOXBD-UHFFFAOYSA-N |