6-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0273 |
| Compound Name: | 6-(4-tert-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-2-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)c1nn2c(C3COc4ccccc4O3)nnc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.223 |
| logD: | 5.223 |
| logSw: | -5.2383 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.159 |
| InChI Key: | XKENYPSNHOWLLO-KRWDZBQOSA-N |