3-[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Chemical Structure Depiction of
3-[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2291 |
| Compound Name: | 3-[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 330.3 |
| Molecular Formula: | C14 H14 N6 O4 |
| Smiles: | Cc1c(C(Nc2ccccc2OC)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 1.5564 |
| logD: | 1.5561 |
| logSw: | -2.0923 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.508 |
| InChI Key: | AVPMQKHTIAHCQU-UHFFFAOYSA-N |