6-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0205 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 314.24 |
| Molecular Formula: | C11 H5 F3 N4 O2 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nn2c(C(F)(F)F)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.5927 |
| logD: | 2.5927 |
| logSw: | -2.9062 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.109 |
| InChI Key: | KZYGGMWXNXOBNA-UHFFFAOYSA-N |