6-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0456 |
| Compound Name: | 6-[(4-methoxyphenyl)methyl]-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | COc1ccc(Cc2nn3c(c4cc(c(c(c4)OC)OC)OC)nnc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0979 |
| logD: | 3.0979 |
| logSw: | -3.2261 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.739 |
| InChI Key: | KWYXLYJVJROSKE-UHFFFAOYSA-N |