2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8017-1617 |
| Compound Name: | 2-(5-bromo-3-nitro-1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 394.1 |
| Molecular Formula: | C11 H7 Br F3 N5 O3 |
| Smiles: | C(C(Nc1cccc(c1)C(F)(F)F)=O)n1c(nc(n1)[N+]([O-])=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7788 |
| logD: | 2.7782 |
| logSw: | -3.2419 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.082 |
| InChI Key: | AESBAWFHEMSQFC-UHFFFAOYSA-N |