5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8653 |
| Compound Name: | 5-{3-[(2-chlorophenoxy)methyl]-4-methoxyphenyl}-4-(3-methoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | COc1cccc(c1)n1c(c2ccc(c(COc3ccccc3[Cl])c2)OC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.2855 |
| logD: | 3.7429 |
| logSw: | -6.0937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.946 |
| InChI Key: | WVCNHWNGUDJQSZ-UHFFFAOYSA-N |