3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | IB06-4668 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-6-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | COc1ccc(CCc2nnc3n2nc(c2cc(c(c(c2)OC)OC)OC)s3)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.01 |
| logD: | 3.01 |
| logSw: | -3.63 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 132.91 |
| InChI Key: | HFSASZXAAUDADG-UHFFFAOYSA-N |