2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | 8011-7791 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)acetamide |
| Molecular Weight: | 371.1 |
| Molecular Formula: | C10 H7 Br N6 O5 |
| Smiles: | C(C(Nc1cccc(c1)[N+]([O-])=O)=O)n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 1.8033 |
| logD: | 1.8024 |
| logSw: | -2.5489 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.464 |
| InChI Key: | SNCBMDYFEIMYHZ-UHFFFAOYSA-N |