5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6084 |
| Compound Name: | 5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C24 H22 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1COc1ccccc1[Cl])c1nnc(n1CCc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 5.5077 |
| logD: | 5.1634 |
| logSw: | -6.0605 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.637 |
| InChI Key: | UVNKVUNHFJMMKH-UHFFFAOYSA-N |