3-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]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-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide
3-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]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: | 8013-2663 |
| Compound Name: | 3-{[5-(2-ethoxy-2-oxoethyl)-1,3,4-thiadiazol-2-yl]carbamoyl}-2,6-dimethyl-7-nitro[1,2,3]triazolo[2,1-a][1,2,3]triazol-4-ium-1-ide |
| Molecular Weight: | 394.37 |
| Molecular Formula: | C13 H14 N8 O5 S |
| Smiles: | CCOC(Cc1nnc(NC(c2c(C)[n-]n3c(c(C)n[n+]23)[N+]([O-])=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8422 |
| logD: | 0.7648 |
| logSw: | -1.9915 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 124.775 |
| InChI Key: | OOUTXOQSDNSCCK-UHFFFAOYSA-N |