4-(2-bromo-4-methylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2-bromo-4-methylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
4-(2-bromo-4-methylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8013-7433 |
| Compound Name: | 4-(2-bromo-4-methylphenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 376.27 |
| Molecular Formula: | C16 H14 Br N3 O S |
| Smiles: | Cc1ccc(c(c1)[Br])n1c(c2ccc(cc2)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.3283 |
| logD: | 2.2934 |
| logSw: | -4.4467 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.7005 |
| InChI Key: | CIIGSCCFRTYKAG-UHFFFAOYSA-N |