6-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0182 |
| Compound Name: | 6-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)c1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5611 |
| logD: | 3.561 |
| logSw: | -3.6815 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 63.823 |
| InChI Key: | NKCZPADLKGLTJS-UHFFFAOYSA-N |