4-[({3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6099 |
| Compound Name: | 4-[({3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 388.87 |
| Molecular Formula: | C18 H17 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1[Cl])OCc1cc(/C=N/n2cnnc2S)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7195 |
| logD: | 3.6762 |
| logSw: | -4.0636 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.246 |
| InChI Key: | GYIULVQAFRYAGZ-UHFFFAOYSA-N |