1-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-9042 |
| Compound Name: | 1-{5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 432.86 |
| Molecular Formula: | C19 H14 Cl F N4 O3 S |
| Smiles: | CSc1nnc(c2ccco2)n1/N=C/c1ccc(COc2ccc(c(c2)[Cl])F)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4286 |
| logD: | 4.4284 |
| logSw: | -4.4973 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.423 |
| InChI Key: | MWRPCLKSQZDKTH-UHFFFAOYSA-N |