6-[(3,4-dimethoxyphenyl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,4-dimethoxyphenyl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,4-dimethoxyphenyl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0307 |
| Compound Name: | 6-[(3,4-dimethoxyphenyl)methyl]-3-(pyridin-4-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 353.4 |
| Molecular Formula: | C17 H15 N5 O2 S |
| Smiles: | COc1ccc(Cc2nn3c(c4ccncc4)nnc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.0026 |
| logD: | 2.0024 |
| logSw: | -1.9671 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.906 |
| InChI Key: | ULOPYFJGBHWANL-UHFFFAOYSA-N |