4-(4-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(4-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0131 |
| Compound Name: | 4-(4-bromophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 422.3 |
| Molecular Formula: | C17 H16 Br N3 O3 S |
| Smiles: | COc1cc(cc(c1OC)OC)c1nnc(n1c1ccc(cc1)[Br])S |
| Stereo: | ACHIRAL |
| logP: | 3.6327 |
| logD: | 2.0902 |
| logSw: | -3.9163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.436 |
| InChI Key: | UVBWPRXXJKRCLL-UHFFFAOYSA-N |