6-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0180 |
| Compound Name: | 6-(3,4-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 428.47 |
| Molecular Formula: | C20 H20 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)c1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 2.7971 |
| logD: | 2.7971 |
| logSw: | -3.1611 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.96 |
| InChI Key: | NJECOFXXBZMHAL-UHFFFAOYSA-N |