N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methanimine
Compound characteristics
| Compound ID: | Y502-5627 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl}methanimine |
| Molecular Weight: | 463.46 |
| Molecular Formula: | C20 H19 F2 N5 O4 S |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)OCc1cc(/C=N/n2c(C(F)F)nnc2SC)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5396 |
| logD: | 3.5391 |
| logSw: | -3.9186 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.902 |
| InChI Key: | YYZLLCIACZFTBE-UHFFFAOYSA-N |