6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0880 |
| Compound Name: | 6-[3-(2-methylpropyl)-1H-pyrazol-5-yl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 370.5 |
| Molecular Formula: | C17 H18 N6 S2 |
| Smiles: | CC(C)Cc1cc(c2nn3c(CSc4ccccc4)nnc3s2)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.8787 |
| logD: | 3.8787 |
| logSw: | -3.9718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.954 |
| InChI Key: | HNQKCEWVBBITAN-UHFFFAOYSA-N |