2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(propan-2-yl)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-(propan-2-yl)phenyl]methyl}acetamide
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | L558-0654 |
| Compound Name: | 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-{[4-(propan-2-yl)phenyl]methyl}acetamide |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C25 H24 Cl N5 O3 |
| Smiles: | CC(C)c1ccc(CNC(CN2C(c3cnc(c4ccc(cc4)[Cl])nc3N(C)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7007 |
| logD: | 4.7007 |
| logSw: | -4.9115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.88 |
| InChI Key: | BMCIURLZAPNAEG-UHFFFAOYSA-N |