5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8580 |
| Compound Name: | 5-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 445.97 |
| Molecular Formula: | C22 H24 Cl N3 O3 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1cc(ccc1OC)c1nnc(n1CC1CCCO1)S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8234 |
| logD: | 4.479 |
| logSw: | -4.994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.227 |
| InChI Key: | ZMMBRVWTGVBYCC-GOSISDBHSA-N |