3,7-bis(ethoxycarbonyl)-2,6-dimethyl[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Chemical Structure Depiction of
3,7-bis(ethoxycarbonyl)-2,6-dimethyl[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3,7-bis(ethoxycarbonyl)-2,6-dimethyl[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
Compound characteristics
| Compound ID: | 8002-8442 |
| Compound Name: | 3,7-bis(ethoxycarbonyl)-2,6-dimethyl[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 280.28 |
| Molecular Formula: | C12 H16 N4 O4 |
| Smiles: | CCOC(c1c(C)n[n+]2c(C(=O)OCC)c(C)[n-]n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0452 |
| logD: | 1.0452 |
| logSw: | -1.0399 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.834 |
| InChI Key: | FGRDGWFBGBCEJE-UHFFFAOYSA-N |