2,6-dimethyl-7-nitro-3-[(4-sulfamoylphenyl)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-[(4-sulfamoylphenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-[(4-sulfamoylphenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-0856 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-[(4-sulfamoylphenyl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 379.35 |
| Molecular Formula: | C13 H13 N7 O5 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)S(N)(=O)=O)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | -0.0344 |
| logD: | -0.0369 |
| logSw: | -2.1758 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 131.179 |
| InChI Key: | IGDNSFDFPXCVIY-UHFFFAOYSA-N |