3-(2H-1,3-benzodioxol-5-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2H-1,3-benzodioxol-5-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8019-5561 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 336.37 |
| Molecular Formula: | C17 H12 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1nn2c(c3ccc4c(c3)OCO4)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.0537 |
| logD: | 4.0537 |
| logSw: | -4.1207 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.837 |
| InChI Key: | PGXKOKATZQOXBY-UHFFFAOYSA-N |