N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0234 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-(3-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 339.35 |
| Molecular Formula: | C17 H17 N5 O3 |
| Smiles: | Cc1cccc(c1)n1nc(c(Nc2cc(C)cc(C)c2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1568 |
| logD: | 4.1568 |
| logSw: | -4.3018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | MXPCOPZERMZZCG-UHFFFAOYSA-N |