3-methyl-1-({2-[4-nitro-2-(trifluoromethyl)anilino]ethyl}amino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Chemical Structure Depiction of
3-methyl-1-({2-[4-nitro-2-(trifluoromethyl)anilino]ethyl}amino)pyrido[1,2-a]benzimidazole-4-carbonitrile
3-methyl-1-({2-[4-nitro-2-(trifluoromethyl)anilino]ethyl}amino)pyrido[1,2-a]benzimidazole-4-carbonitrile
Compound characteristics
| Compound ID: | 5378-0876 |
| Compound Name: | 3-methyl-1-({2-[4-nitro-2-(trifluoromethyl)anilino]ethyl}amino)pyrido[1,2-a]benzimidazole-4-carbonitrile |
| Molecular Weight: | 454.41 |
| Molecular Formula: | C22 H17 F3 N6 O2 |
| Smiles: | Cc1cc(NCCNc2ccc(cc2C(F)(F)F)[N+]([O-])=O)n2c3ccccc3nc2c1C#N |
| Stereo: | ACHIRAL |
| logP: | 5.331 |
| logD: | 5.3309 |
| logSw: | -5.4749 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.809 |
| InChI Key: | JMQANGZDXLEHIF-UHFFFAOYSA-N |