4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-3984 |
| Compound Name: | 4-(2-bromo-4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 436.33 |
| Molecular Formula: | C18 H18 Br N3 O3 S |
| Smiles: | Cc1ccc(c(c1)[Br])n1c(c2cc(c(c(c2)OC)OC)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.8284 |
| logD: | 1.7934 |
| logSw: | -4.1107 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.135 |
| InChI Key: | QTFNESKTKVYUAF-UHFFFAOYSA-N |