2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-ethoxyphenyl)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-ethoxyphenyl)methyl]acetamide
2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-ethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L558-0650 |
| Compound Name: | 2-[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]-N-[(4-ethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C24 H22 Cl N5 O4 |
| Smiles: | CCOc1ccc(CNC(CN2C(c3cnc(c4ccc(cc4)[Cl])nc3N(C)C2=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7315 |
| logD: | 3.7315 |
| logSw: | -4.235 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.004 |
| InChI Key: | IJTBSCVEKQKKGM-UHFFFAOYSA-N |