2,6-dimethyl-7-nitro-3-[(3-nitrophenyl)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-nitrophenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2290 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-[(3-nitrophenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 345.27 |
| Molecular Formula: | C13 H11 N7 O5 |
| Smiles: | Cc1c(C(Nc2cccc(c2)[N+]([O-])=O)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 1.6728 |
| logD: | 1.669 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 113.957 |
| InChI Key: | LODIETFAWMFQNI-UHFFFAOYSA-N |