1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-8837 |
| Compound Name: | 1-{5-[(4-chloro-3-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 444.86 |
| Molecular Formula: | C18 H16 Cl F3 N4 O2 S |
| Smiles: | CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(c(C)c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.5487 |
| logD: | 5.5485 |
| logSw: | -6.0286 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.116 |
| InChI Key: | WXKCDJIXOMLWJQ-UHFFFAOYSA-N |