3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | 7009-0292 |
| Compound Name: | 3-(4-tert-butylphenyl)-6-(2,3-dihydro-1,4-benzodioxin-6-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc2n1nc(c1ccc3c(c1)OCCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5468 |
| logD: | 4.5468 |
| logSw: | -4.4275 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.545 |
| InChI Key: | ZFEDVUFWYIOHBD-UHFFFAOYSA-N |