3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 4243-0199 |
| Compound Name: | 3-methyl-1-{[2-(4-nitroanilino)ethyl]amino}pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 386.41 |
| Molecular Formula: | C21 H18 N6 O2 |
| Smiles: | Cc1cc(NCCNc2ccc(cc2)[N+]([O-])=O)n2c3ccccc3nc2c1C#N |
| Stereo: | ACHIRAL |
| logP: | 4.4009 |
| logD: | 4.4008 |
| logSw: | -4.5239 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.507 |
| InChI Key: | UPSPJMLAHRUKHF-UHFFFAOYSA-N |