2-{[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
2-{[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | L559-0839 |
| Compound Name: | 2-{[1-methyl-7-(4-methylphenyl)-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 383.41 |
| Molecular Formula: | C22 H17 N5 O2 |
| Smiles: | Cc1ccc(cc1)c1ncc2C(N(Cc3ccccc3C#N)C(N(C)c2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8728 |
| logD: | 3.8728 |
| logSw: | -3.8408 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.465 |
| InChI Key: | YQMGNTZSFNAOKM-UHFFFAOYSA-N |