3-(pyridin-2-yl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(pyridin-2-yl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(pyridin-2-yl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0508 |
| Compound Name: | 3-(pyridin-2-yl)-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)c1nn2c(c3ccccn3)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0623 |
| logD: | 3.0581 |
| logSw: | -3.1104 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.487 |
| InChI Key: | BANQLAFVINUORK-UHFFFAOYSA-N |