N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-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-nitrophenoxy)methyl]phenyl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methanimine
Compound characteristics
| Compound ID: | Y502-5629 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}methanimine |
| Molecular Weight: | 449.43 |
| Molecular Formula: | C19 H17 F2 N5 O4 S |
| Smiles: | COc1ccc(/C=N/n2c(C(F)F)nnc2SC)cc1COc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3587 |
| logD: | 3.3582 |
| logSw: | -3.5691 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.116 |
| InChI Key: | ZKJSPOMWAAMBLJ-UHFFFAOYSA-N |