6-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0167 |
| Compound Name: | 6-(4-tert-butylphenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nn2c(c3cc(c(c(c3)OC)OC)OC)nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.9866 |
| logD: | 4.9865 |
| logSw: | -4.7503 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.7 |
| InChI Key: | PLMXHQBUQFAXPF-UHFFFAOYSA-N |