3,6-bis(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3,6-bis(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3,6-bis(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0181 |
| Compound Name: | 3,6-bis(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 458.49 |
| Molecular Formula: | C21 H22 N4 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1nc(c1cc(c(c(c1)OC)OC)OC)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.8307 |
| logD: | 2.8307 |
| logSw: | -3.0848 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.677 |
| InChI Key: | OCCWMBOOOJNAPB-UHFFFAOYSA-N |