5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6146 |
| Compound Name: | 5-{4-[(2-bromophenoxy)methyl]phenyl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 498.4 |
| Molecular Formula: | C23 H20 Br N3 O3 S |
| Smiles: | COc1ccc(c(c1)OC)n1c(c2ccc(COc3ccccc3[Br])cc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.3226 |
| logD: | 3.7801 |
| logSw: | -5.4386 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.645 |
| InChI Key: | FWWLTLSOHINMMJ-UHFFFAOYSA-N |