2,6-dimethyl-7-nitro-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-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-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
2,6-dimethyl-7-nitro-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8013-2056 |
| Compound Name: | 2,6-dimethyl-7-nitro-3-{[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 350.36 |
| Molecular Formula: | C12 H14 N8 O3 S |
| Smiles: | CC(C)c1nnc(NC(c2c(C)[n-]n3c(c(C)n[n+]23)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.6836 |
| logD: | 1.4849 |
| logSw: | -2.462 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 104.121 |
| InChI Key: | VSUVZWKDQFATKM-UHFFFAOYSA-N |