3-tert-butyl-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-tert-butyl-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-tert-butyl-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0288 |
| Compound Name: | 3-tert-butyl-6-(3,4,5-triethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C19 H26 N4 O3 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)c1nn2c(C(C)(C)C)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.9631 |
| logD: | 3.9631 |
| logSw: | -3.9889 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.71 |
| InChI Key: | JKOMHAXQFIQYLM-UHFFFAOYSA-N |