N-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
N-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C301-0866 |
| Compound Name: | N-(3-bromo-4-methylphenyl)-2-(4-chlorophenyl)-5-nitro-3-oxo-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 424.64 |
| Molecular Formula: | C15 H11 Br Cl N5 O3 |
| Smiles: | Cc1ccc(cc1[Br])Nc1c(nn(c2ccc(cc2)[Cl])[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6829 |
| logD: | 4.6829 |
| logSw: | -4.8494 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | XAGHDXHPDNSXER-UHFFFAOYSA-N |