N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methanimine
Chemical Structure Depiction of
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methanimine
N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methanimine
Compound characteristics
| Compound ID: | Y509-5100 |
| Compound Name: | N-[3-(difluoromethyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]-1-{3-[(2,5-dimethylphenoxy)methyl]-4-methoxyphenyl}methanimine |
| Molecular Weight: | 432.49 |
| Molecular Formula: | C21 H22 F2 N4 O2 S |
| Smiles: | Cc1ccc(C)c(c1)OCc1cc(/C=N/n2c(C(F)F)nnc2SC)ccc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3556 |
| logD: | 4.3551 |
| logSw: | -4.4821 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.821 |
| InChI Key: | JZUDKBAQVYPRLN-UHFFFAOYSA-N |