6-(3,4-dimethoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(3,4-dimethoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0194 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C18 H16 N4 O2 S2 |
| Smiles: | COc1ccc(cc1OC)c1nn2c(CSc3ccccc3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2088 |
| logD: | 3.2088 |
| logSw: | -3.3504 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.959 |
| InChI Key: | JBLLXBUPRNFATB-UHFFFAOYSA-N |