benzyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Chemical Structure Depiction of
benzyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
benzyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Compound characteristics
| Compound ID: | C552-0118 |
| Compound Name: | benzyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate |
| Molecular Weight: | 440.46 |
| Molecular Formula: | C25 H20 N4 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c3ccccc3nc2N1)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2599 |
| logD: | 5.2534 |
| logSw: | -5.3122 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.273 |
| InChI Key: | OZDXTCMMGYSYAZ-QHCPKHFHSA-N |