2-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
2-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
2-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-1071 |
| Compound Name: | 2-(3-chlorophenyl)-N-(3,5-dimethylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 359.77 |
| Molecular Formula: | C16 H14 Cl N5 O3 |
| Smiles: | Cc1cc(C)cc(c1)Nc1c(nn(c2cccc(c2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2979 |
| logD: | 4.2979 |
| logSw: | -4.5274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | KCPZWQWRPZDEDM-UHFFFAOYSA-N |