3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(2-phenylethenyl)[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-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0303 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-(2-phenylethenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C19 H14 N4 O2 S |
| Smiles: | C1C(c2nnc3n2nc(/C=C/c2ccccc2)s3)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7231 |
| logD: | 3.7231 |
| logSw: | -4.2867 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.654 |
| InChI Key: | SWYUANHGYQIPCA-INIZCTEOSA-N |