N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0212 |
| Compound Name: | N-(2-methyl-4-nitrophenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 356.3 |
| Molecular Formula: | C15 H12 N6 O5 |
| Smiles: | Cc1cc(ccc1Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1672 |
| logD: | 3.1672 |
| logSw: | -3.2946 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.767 |
| InChI Key: | BTXPRUGVWYQUBS-UHFFFAOYSA-N |