3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(3,4-dimethoxyphenyl)-6-[(4-methoxyphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0024 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-6-[(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)OCc1nn2c(c3ccc(c(c3)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.049 |
| logD: | 3.049 |
| logSw: | -3.2238 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.521 |
| InChI Key: | XECLMUCGRUIXIE-UHFFFAOYSA-N |