6-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0303 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C18 H12 N4 O4 S |
| Smiles: | C1C(c2nnc3n2nc(c2ccc4c(c2)OCO4)s3)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3318 |
| logD: | 3.3318 |
| logSw: | -3.577 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.274 |
| InChI Key: | XTHFPGUHKBEENX-HNNXBMFYSA-N |