3-(2-bromophenyl)-6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-(2-bromophenyl)-6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-(2-bromophenyl)-6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D064-0440 |
| Compound Name: | 3-(2-bromophenyl)-6-[(4-tert-butylphenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 443.36 |
| Molecular Formula: | C20 H19 Br N4 O S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nn2c(c3ccccc3[Br])nnc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3231 |
| logD: | 5.3231 |
| logSw: | -5.4093 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.716 |
| InChI Key: | PYZZVHWPQPEKDG-UHFFFAOYSA-N |