N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl}methanimine
Chemical Structure Depiction of
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl}methanimine
N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl}methanimine
Compound characteristics
| Compound ID: | Y508-8833 |
| Compound Name: | N-[3-(butylsulfanyl)-5-(difluoromethyl)-4H-1,2,4-triazol-4-yl]-1-{5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-yl}methanimine |
| Molecular Weight: | 478.41 |
| Molecular Formula: | C19 H16 F6 N4 O2 S |
| Smiles: | CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(c(cc(c2F)F)F)F)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2751 |
| logD: | 5.2751 |
| logSw: | -5.1879 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.289 |
| InChI Key: | HEHMLTZIICVBIT-UHFFFAOYSA-N |