2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | L558-0649 |
| Compound Name: | 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 481.96 |
| Molecular Formula: | C23 H20 Cl N5 O3 S |
| Smiles: | CN1C(N(CC(NCc2ccc(cc2)SC)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0818 |
| logD: | 4.0818 |
| logSw: | -4.5295 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.88 |
| InChI Key: | LDVJHQSJBFGTTH-UHFFFAOYSA-N |