N-(2-methylcyclohexyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methylcyclohexyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methylcyclohexyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0123 |
| Compound Name: | N-(2-methylcyclohexyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 317.35 |
| Molecular Formula: | C15 H19 N5 O3 |
| Smiles: | CC1CCCCC1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3017 |
| logD: | 3.3017 |
| logSw: | -3.8295 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.521 |
| InChI Key: | IXLXTVUYGGFYMC-UHFFFAOYSA-N |