ethyl 4-(4-methylphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(4-methylphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-methylphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E777-0013 |
| Compound Name: | ethyl 4-(4-methylphenyl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 479.54 |
| Molecular Formula: | C25 H29 N5 O5 |
| Smiles: | CCOC(C1C(c2ccc(C)cc2)NC(NC=1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2338 |
| logD: | 3.2338 |
| logSw: | -3.2696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.427 |
| InChI Key: | FYHAYARQYWMZCL-HSZRJFAPSA-N |