6-(2,3-dimethoxyphenyl)-3-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2,3-dimethoxyphenyl)-3-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2,3-dimethoxyphenyl)-3-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0460 |
| Compound Name: | 6-(2,3-dimethoxyphenyl)-3-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 398.44 |
| Molecular Formula: | C19 H18 N4 O4 S |
| Smiles: | COc1ccc(cc1)OCc1nnc2n1nc(c1cccc(c1OC)OC)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8982 |
| logD: | 2.8982 |
| logSw: | -3.4696 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.088 |
| InChI Key: | PQEKVRXEUCRNCA-UHFFFAOYSA-N |