3-{[(furan-2-yl)methyl]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-{[(furan-2-yl)methyl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-{[(furan-2-yl)methyl]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: | 8013-2293 |
| Compound Name: | 3-{[(furan-2-yl)methyl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 304.26 |
| Molecular Formula: | C12 H12 N6 O4 |
| Smiles: | Cc1c(C(NCc2ccco2)=O)[n+]2nc(C)c([N+]([O-])=O)n2[n-]1 |
| Stereo: | ACHIRAL |
| logP: | 0.947 |
| logD: | 0.947 |
| logSw: | -1.8551 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.647 |
| InChI Key: | RIBBWMJVJULDQV-UHFFFAOYSA-N |