6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0203 |
| Compound Name: | 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1nc(c1ccc3c(c1)OCCO3)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.2348 |
| logD: | 2.2347 |
| logSw: | -2.6534 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.523 |
| InChI Key: | ROMQBGFJRLJPMF-UHFFFAOYSA-N |