N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methanimine
Compound characteristics
| Compound ID: | Y502-6094 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)methanimine |
| Molecular Weight: | 472.44 |
| Molecular Formula: | C20 H17 F5 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2SC)cc1COc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 4.2561 |
| logD: | 4.2556 |
| logSw: | -4.5211 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.735 |
| InChI Key: | PWKGPZCVZLUILR-UHFFFAOYSA-N |