2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0393 |
| Compound Name: | 2-(4-chlorophenyl)-N-(2,3-dimethylcyclohexyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 365.82 |
| Molecular Formula: | C16 H20 Cl N5 O3 |
| Smiles: | CC1CCCC(C1C)Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7921 |
| logD: | 3.7921 |
| logSw: | -4.2861 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.521 |
| InChI Key: | CYJOXMFSGKCLSU-UHFFFAOYSA-N |