6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0170 |
| Compound Name: | 6-(4-bromophenyl)-3-(3,4,5-trimethoxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 447.31 |
| Molecular Formula: | C18 H15 Br N4 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc2n1nc(c1ccc(cc1)[Br])s2 |
| Stereo: | ACHIRAL |
| logP: | 4.026 |
| logD: | 4.026 |
| logSw: | -4.2898 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.7 |
| InChI Key: | NMBHHDCUDLWBSF-UHFFFAOYSA-N |