N-(5-chloro-2-methylphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
N-(5-chloro-2-methylphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide
Compound characteristics
| Compound ID: | F236-0322 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[7-(methylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamide |
| Molecular Weight: | 375.83 |
| Molecular Formula: | C16 H14 Cl N5 O2 S |
| Smiles: | Cc1ccc(cc1NC(CN1C=Nc2c(cnc(n2)SC)C1=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.2243 |
| logD: | 2.2241 |
| logSw: | -3.3889 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.181 |
| InChI Key: | TVECRHFIMMYGSX-UHFFFAOYSA-N |