6-[(2-ethoxyphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(2-ethoxyphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(2-ethoxyphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0195 |
| Compound Name: | 6-[(2-ethoxyphenoxy)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C21 H22 N4 O5 S |
| Smiles: | CCOc1ccccc1OCc1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0193 |
| logD: | 3.0193 |
| logSw: | -3.1148 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.991 |
| InChI Key: | ZOAFCYJWWUHTGL-UHFFFAOYSA-N |