3-benzyl-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-benzyl-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-benzyl-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0862 |
| Compound Name: | 3-benzyl-6-[3-(2-methylpropyl)-1H-pyrazol-5-yl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C17 H18 N6 S |
| Smiles: | CC(C)Cc1cc(c2nn3c(Cc4ccccc4)nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.6175 |
| logD: | 3.6175 |
| logSw: | -3.7762 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.954 |
| InChI Key: | XWKHTSWWQLZCCJ-UHFFFAOYSA-N |