3-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzoic acid
Chemical Structure Depiction of
3-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzoic acid
3-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 8020-8142 |
| Compound Name: | 3-[3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzoic acid |
| Molecular Weight: | 314.24 |
| Molecular Formula: | C11 H5 F3 N4 O2 S |
| Smiles: | c1cc(cc(c1)c1nn2c(C(F)(F)F)nnc2s1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5545 |
| logD: | -0.4444 |
| logSw: | -2.5697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.401 |
| InChI Key: | WLSYQHNVEBPXCR-UHFFFAOYSA-N |