3-[(3-acetylphenyl)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-[(3-acetylphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-[(3-acetylphenyl)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: | 8013-2289 |
| Compound Name: | 3-[(3-acetylphenyl)carbamoyl]-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 342.31 |
| Molecular Formula: | C15 H14 N6 O4 |
| Smiles: | CC(c1cccc(c1)NC(c1c(C)[n-]n2c(c(C)n[n+]12)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3459 |
| logD: | 1.3455 |
| logSw: | -2.2037 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.403 |
| InChI Key: | CQKFQTSSYRXPKQ-UHFFFAOYSA-N |