2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | L558-1059 |
| Compound Name: | 2-[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C24 H23 N5 O3 S |
| Smiles: | Cc1ccc(cc1)c1ncc2C(N(CC(NCc3ccc(cc3)SC)=O)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9105 |
| logD: | 3.9105 |
| logSw: | -3.8223 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.88 |
| InChI Key: | UAFWTOKGGGOHFD-UHFFFAOYSA-N |