N-(2-methoxy-5-nitrophenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(2-methoxy-5-nitrophenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(2-methoxy-5-nitrophenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0050 |
| Compound Name: | N-(2-methoxy-5-nitrophenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 386.32 |
| Molecular Formula: | C16 H14 N6 O6 |
| Smiles: | Cc1ccccc1n1nc(c(Nc2cc(ccc2OC)[N+]([O-])=O)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2636 |
| logD: | 3.2636 |
| logSw: | -3.517 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 116.097 |
| InChI Key: | GAIQNOOQOYRNDK-UHFFFAOYSA-N |