2-ethyl-3-methyl-7-nitro-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-ethyl-3-methyl-7-nitro-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
2-ethyl-3-methyl-7-nitro-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | Y508-0238 |
| Compound Name: | 2-ethyl-3-methyl-7-nitro-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 296.28 |
| Molecular Formula: | C15 H12 N4 O3 |
| Smiles: | CCC1=C(C)C(C#N)=C2Nc3cc(ccc3N2C1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.523 |
| logD: | 2.3615 |
| logSw: | -2.9308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.941 |
| InChI Key: | AIVPLNKQBSJBMV-UHFFFAOYSA-N |