2,6-dimethyl-7-nitro-3-({4-[(1,3-thiazol-2-yl)sulfamoyl]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-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2388 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-({4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}carbamoyl)[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C16 H14 N8 O5 S2 |
| Smiles: | Cc1c(C(Nc2ccc(cc2)S(Nc2nccs2)(=O)=O)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 1.2949 |
| logD: | 0.8851 |
| logSw: | -2.481 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 131.704 |
| InChI Key: | PPTHJGGARQBDDN-UHFFFAOYSA-N |