3-tert-butyl-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-tert-butyl-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-tert-butyl-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0003 |
| Compound Name: | 3-tert-butyl-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 258.34 |
| Molecular Formula: | C13 H14 N4 S |
| Smiles: | CC(C)(C)c1nnc2n1nc(c1ccccc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.2607 |
| logD: | 3.2607 |
| logSw: | -3.2839 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.993 |
| InChI Key: | AJVSVLUBOVBZLZ-UHFFFAOYSA-N |