octyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Chemical Structure Depiction of
octyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
octyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Compound characteristics
| Compound ID: | C202-0951 |
| Compound Name: | octyl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate |
| Molecular Weight: | 462.55 |
| Molecular Formula: | C26 H30 N4 O4 |
| Smiles: | CCCCCCCCOC(C1C(c2ccc(cc2)[N+]([O-])=O)n2c3ccccc3nc2NC=1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.2088 |
| logD: | 7.1971 |
| logSw: | -5.692 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.463 |
| InChI Key: | ISKOTDAOLBBSBZ-DEOSSOPVSA-N |