5-{3-[(3-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(3-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-{3-[(3-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6080 |
| Compound Name: | 5-{3-[(3-bromophenoxy)methyl]phenyl}-4-(1-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 466.4 |
| Molecular Formula: | C23 H20 Br N3 O S |
| Smiles: | CC(c1ccccc1)n1c(c2cccc(COc3cccc(c3)[Br])c2)nnc1S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0638 |
| logD: | 5.7194 |
| logSw: | -5.7521 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6376 |
| InChI Key: | RBCUBFIBMQFBIJ-INIZCTEOSA-N |