1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-9045 |
| Compound Name: | 1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-[3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 380.37 |
| Molecular Formula: | C16 H14 F2 N4 O3 S |
| Smiles: | COc1cc(/C=N/n2c(c3ccco3)nnc2SC)ccc1OC(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.5488 |
| logD: | 2.5472 |
| logSw: | -2.6991 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.505 |
| InChI Key: | QBPCAJRMYTWWPE-UHFFFAOYSA-N |