2-ethyl-3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
2-ethyl-3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
2-ethyl-3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4243-0198 |
| Compound Name: | 2-ethyl-3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 414.47 |
| Molecular Formula: | C23 H22 N6 O2 |
| Smiles: | CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCNc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3095 |
| logD: | 5.3089 |
| logSw: | -5.4703 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.585 |
| InChI Key: | HVBUSTRLRGGOLC-UHFFFAOYSA-N |