1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
Chemical Structure Depiction of
1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
Compound characteristics
| Compound ID: | D221-0304 |
| Compound Name: | 1-{[6-(2H-1,3-benzodioxol-5-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C18 H12 N6 O2 S |
| Smiles: | C(c1nnc2n1nc(c1ccc3c(c1)OCO3)s2)n1cnc2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 2.3297 |
| logD: | 1.2131 |
| logSw: | -2.7128 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 62.27 |
| InChI Key: | SUJZOJZVJMWSMI-UHFFFAOYSA-N |