2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-methoxyphenyl)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-methoxyphenyl)methyl]acetamide
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L558-0559 |
| Compound Name: | 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 465.89 |
| Molecular Formula: | C23 H20 Cl N5 O4 |
| Smiles: | CN1C(N(CC(NCc2ccc(cc2)OC)=O)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3449 |
| logD: | 3.3449 |
| logSw: | -3.8427 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.424 |
| InChI Key: | XLYQOVSBDMVRNE-UHFFFAOYSA-N |