N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl}methanimine
Compound characteristics
| Compound ID: | Y502-4788 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl}methanimine |
| Molecular Weight: | 434.46 |
| Molecular Formula: | C20 H20 F2 N4 O3 S |
| Smiles: | COc1ccc(cc1)OCc1cc(/C=N/n2c(C(F)F)nnc2SC)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4154 |
| logD: | 3.4149 |
| logSw: | -3.654 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.278 |
| InChI Key: | GXDPMFMBIDTTTL-UHFFFAOYSA-N |