6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0847 |
| Compound Name: | 6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-(trifluoromethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 316.3 |
| Molecular Formula: | C11 H11 F3 N6 S |
| Smiles: | CC(C)Cc1cc(c2nn3c(C(F)(F)F)nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9645 |
| logD: | 2.9644 |
| logSw: | -3.2193 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.25 |
| InChI Key: | SKFSYOIBZKYAOW-UHFFFAOYSA-N |