3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(4-methoxyphenyl)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-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0458 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-2-yl)-6-[(4-methoxyphenyl)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C19 H16 N4 O3 S |
| Smiles: | COc1ccc(Cc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3343 |
| logD: | 3.3343 |
| logSw: | -3.5558 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.198 |
| InChI Key: | BKMJWVAKIMDQOA-INIZCTEOSA-N |