prop-2-en-1-yl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
prop-2-en-1-yl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
Compound characteristics
| Compound ID: | K832-3746 |
| Compound Name: | prop-2-en-1-yl 2-methyl-4-(4-nitrophenyl)-1,4-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate |
| Molecular Weight: | 390.4 |
| Molecular Formula: | C21 H18 N4 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)n2c3ccccc3nc2N1)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1905 |
| logD: | 4.184 |
| logSw: | -4.3816 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.463 |
| InChI Key: | KJUNSZPXAKEHHS-IBGZPJMESA-N |