3-[(4-bromophenoxy)methyl]-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Chemical Structure Depiction of
3-[(4-bromophenoxy)methyl]-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
3-[(4-bromophenoxy)methyl]-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Compound characteristics
| Compound ID: | D727-0447 |
| Compound Name: | 3-[(4-bromophenoxy)methyl]-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole |
| Molecular Weight: | 415.31 |
| Molecular Formula: | C18 H15 Br N4 O S |
| Smiles: | C(Cc1nn2c(COc3ccc(cc3)[Br])nnc2s1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4123 |
| logD: | 4.4123 |
| logSw: | -4.5025 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.692 |
| InChI Key: | GQYAPLZLNBSWGS-UHFFFAOYSA-N |