N-(4-bromo-3-methylphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromo-3-methylphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C360-0048 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-2-(2-methylphenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 404.22 |
| Molecular Formula: | C16 H14 Br N5 O3 |
| Smiles: | Cc1ccccc1n1nc(c(Nc2ccc(c(C)c2)[Br])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5298 |
| logD: | 4.5298 |
| logSw: | -4.3479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.783 |
| InChI Key: | YEYPVQSCYMDYRH-UHFFFAOYSA-N |