3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 8020-1268 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-6-(3-bromo-4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 419.23 |
| Molecular Formula: | C16 H8 Br F N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc2n1nc(c1ccc(c(c1)[Br])F)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4707 |
| logD: | 4.4707 |
| logSw: | -4.5356 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.837 |
| InChI Key: | FVHWPZYCWUDLEH-UHFFFAOYSA-N |