6-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0204 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 302.35 |
| Molecular Formula: | C14 H14 N4 O2 S |
| Smiles: | CC(C)(C)c1nnc2n1nc(c1ccc3c(c1)OCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2689 |
| logD: | 3.2689 |
| logSw: | -3.2948 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.109 |
| InChI Key: | VNYWOCQDVAXLQT-UHFFFAOYSA-N |