3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl][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-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D221-0308 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(3,4-dimethoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C20 H18 N4 O4 S |
| Smiles: | COc1ccc(Cc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9705 |
| logD: | 2.9705 |
| logSw: | -3.0755 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.915 |
| InChI Key: | AXFAUDATVDEIMM-KRWDZBQOSA-N |