3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0271 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | Cc1ccc(cc1)c1nn2c(C3COc4ccccc4O3)nnc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8519 |
| logD: | 3.8519 |
| logSw: | -3.9924 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.159 |
| InChI Key: | SZVDCKHUMMSRDF-HNNXBMFYSA-N |