N-(4-bromo-3-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
N-(4-bromo-3-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine
Compound characteristics
| Compound ID: | C359-0050 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-5-nitro-3-oxo-2-phenyl-2H-1lambda~5~,2,3-triazol-4-amine |
| Molecular Weight: | 390.19 |
| Molecular Formula: | C15 H12 Br N5 O3 |
| Smiles: | Cc1cc(ccc1[Br])Nc1c(nn(c2ccccc2)[n+]1[O-])[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0492 |
| logD: | 4.0492 |
| logSw: | -4.1483 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.084 |
| InChI Key: | PFMJURGSJFZREX-UHFFFAOYSA-N |