4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9824 |
| Compound Name: | 4-[({3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl}methylidene)amino]-5-(difluoromethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 438.88 |
| Molecular Formula: | C19 H17 Cl F2 N4 O2 S |
| Smiles: | Cc1cc(ccc1OCc1cc(/C=N/n2c(C(F)F)nnc2S)ccc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3465 |
| logD: | 3.6006 |
| logSw: | -4.8089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.295 |
| InChI Key: | DHMBFJGNCIOIOA-UHFFFAOYSA-N |