2,6-dimethyl-7-nitro-3-{[3-(trifluoromethyl)phenyl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Chemical Structure Depiction of
2,6-dimethyl-7-nitro-3-{[3-(trifluoromethyl)phenyl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-{[3-(trifluoromethyl)phenyl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2294 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-{[3-(trifluoromethyl)phenyl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 368.27 |
| Molecular Formula: | C14 H11 F3 N6 O3 |
| Smiles: | Cc1c(C(Nc2cccc(c2)C(F)(F)F)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 2.6483 |
| logD: | 2.646 |
| logSw: | -3.2003 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.576 |
| InChI Key: | AEMLPHTWNWADRW-UHFFFAOYSA-N |