1-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y502-4794 |
| Compound Name: | 1-{3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl}-N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 456.87 |
| Molecular Formula: | C19 H16 Cl F3 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2SC)cc1COc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.9318 |
| logD: | 3.9314 |
| logSw: | -4.4331 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.821 |
| InChI Key: | HJZWLYUKZYVUMM-UHFFFAOYSA-N |