2-{[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
2-{[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
2-{[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | L559-0628 |
| Compound Name: | 2-{[7-(4-chlorophenyl)-1-methyl-2,4-dioxo-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl]methyl}benzonitrile |
| Molecular Weight: | 403.83 |
| Molecular Formula: | C21 H14 Cl N5 O2 |
| Smiles: | CN1C(N(Cc2ccccc2C#N)C(c2cnc(c3ccc(cc3)[Cl])nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0442 |
| logD: | 4.0442 |
| logSw: | -4.5823 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 68.465 |
| InChI Key: | OKAOGVKVSCPDIV-UHFFFAOYSA-N |