2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | 8011-7792 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 354.16 |
| Molecular Formula: | C12 H12 Br N5 O3 |
| Smiles: | Cc1ccc(cc1C)NC(Cn1c(nc(n1)[N+]([O-])=O)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7229 |
| logD: | 2.7229 |
| logSw: | -3.0101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.082 |
| InChI Key: | WKEWQZLRBNJKOC-UHFFFAOYSA-N |