6-[(3,4-dimethylphenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,4-dimethylphenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,4-dimethylphenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0206 |
| Compound Name: | 6-[(3,4-dimethylphenoxy)methyl]-3-[(phenylsulfanyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | Cc1ccc(cc1C)OCc1nn2c(CSc3ccccc3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3747 |
| logD: | 4.3747 |
| logSw: | -4.3255 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.692 |
| InChI Key: | PXGPYZOLQRDQKG-UHFFFAOYSA-N |