6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0835 |
| Compound Name: | 6-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)ethyl]-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 406.53 |
| Molecular Formula: | C20 H18 N6 S2 |
| Smiles: | Cc1c(CCc2nn3c(c4cccs4)nnc3s2)c(C)n(c2ccccc2)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9125 |
| logD: | 3.9124 |
| logSw: | -4.1249 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 49.653 |
| InChI Key: | JQDZBOIHMNQBTB-UHFFFAOYSA-N |