N-(2-methylphenyl)-5-nitrospiro[benzimidazole-2,1'-cyclohexan]-4-amine
Chemical Structure Depiction of
N-(2-methylphenyl)-5-nitrospiro[benzimidazole-2,1'-cyclohexan]-4-amine
N-(2-methylphenyl)-5-nitrospiro[benzimidazole-2,1'-cyclohexan]-4-amine
Compound characteristics
| Compound ID: | 3454-1787 |
| Compound Name: | N-(2-methylphenyl)-5-nitrospiro[benzimidazole-2,1'-cyclohexan]-4-amine |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C19 H20 N4 O2 |
| Smiles: | Cc1ccccc1Nc1c(ccc2c1=NC1(CCCCC1)N=2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9926 |
| logD: | 3.9926 |
| logSw: | -4.1266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.792 |
| InChI Key: | YAMRRJLJTCEUOF-UHFFFAOYSA-N |