2,6-dimethyl-7-nitro-3-[(4-phenyl-1,3-thiazol-2-yl)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-phenyl-1,3-thiazol-2-yl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2304 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl][1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 383.39 |
| Molecular Formula: | C16 H13 N7 O3 S |
| Smiles: | Cc1c(C(Nc2nc(cs2)c2ccccc2)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 3.1174 |
| logD: | 3.1173 |
| logSw: | -3.5028 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.351 |
| InChI Key: | QIFZGWNHDKGGCE-UHFFFAOYSA-N |