N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methanimine
Compound characteristics
| Compound ID: | Y502-4793 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methanimine |
| Molecular Weight: | 422.43 |
| Molecular Formula: | C19 H17 F3 N4 O2 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2SC)cc1COc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4621 |
| logD: | 3.4616 |
| logSw: | -3.6882 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.735 |
| InChI Key: | GINOIHYBOFKKIY-UHFFFAOYSA-N |