6-[(3,4-dimethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(3,4-dimethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(3,4-dimethoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0357 |
| Compound Name: | 6-[(3,4-dimethoxyphenyl)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: | COc1ccc(Cc2nn3c(c4cc(c(c(c4)OC)OC)OC)nnc3s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.734 |
| logD: | 2.734 |
| logSw: | -2.9761 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.456 |
| InChI Key: | QIJKFNJSKCZZAL-UHFFFAOYSA-N |