3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0714 |
| Compound Name: | 3-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-6-(4-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C22 H19 F N6 S |
| Smiles: | Cc1c(CCc2nnc3n2nc(c2ccc(cc2)F)s3)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9175 |
| logD: | 3.9171 |
| logSw: | -4.1649 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.116 |
| InChI Key: | HHALCPKYSQBTGD-UHFFFAOYSA-N |