3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}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-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}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: | 8013-2057 |
| Compound Name: | 3-({4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 485.48 |
| Molecular Formula: | C19 H19 N9 O5 S |
| Smiles: | Cc1c(C(Nc2ccc(cc2)S(Nc2nc(C)cc(C)n2)(=O)=O)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 1.1226 |
| logD: | 0.6404 |
| logSw: | -2.5112 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 140.544 |
| InChI Key: | SFBSCKWHIXASHP-UHFFFAOYSA-N |