3-[(phenylsulfanyl)methyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(phenylsulfanyl)methyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(phenylsulfanyl)methyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0195 |
| Compound Name: | 3-[(phenylsulfanyl)methyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 414.5 |
| Molecular Formula: | C19 H18 N4 O3 S2 |
| Smiles: | COc1cc(cc(c1OC)OC)c1nn2c(CSc3ccccc3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2424 |
| logD: | 3.2424 |
| logSw: | -3.4269 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.676 |
| InChI Key: | USWSWYQXIMZLSL-UHFFFAOYSA-N |