6-[(3,4-dimethoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,4-dimethoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,4-dimethoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0200 |
| Compound Name: | 6-[(3,4-dimethoxyphenyl)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C19 H18 N4 O2 S2 |
| Smiles: | COc1ccc(Cc2nn3c(CSc4ccccc4)nnc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.1457 |
| logD: | 3.1457 |
| logSw: | -3.1422 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.454 |
| InChI Key: | LRUZCXLBIYYNKG-UHFFFAOYSA-N |