3-[(4-bromophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-bromophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-bromophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0451 |
| Compound Name: | 3-[(4-bromophenoxy)methyl]-6-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 445.29 |
| Molecular Formula: | C18 H13 Br N4 O3 S |
| Smiles: | C1C(c2nn3c(COc4ccc(cc4)[Br])nnc3s2)Oc2ccccc2O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7323 |
| logD: | 3.7323 |
| logSw: | -4.1762 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.634 |
| InChI Key: | SHHLPSUGRVAIMS-HNNXBMFYSA-N |