1-{5-[(2,5-dichlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(2,5-dichlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(2,5-dichlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
Compound ID: | Y508-9056 |
Compound Name: | 1-{5-[(2,5-dichlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine |
Molecular Weight: | 411.31 |
Molecular Formula: | C17 H16 Cl2 N4 O2 S |
Smiles: | CCSc1nnc(C)n1/N=C/c1ccc(COc2cc(ccc2[Cl])[Cl])o1 |
Stereo: | ACHIRAL |
logP: | 4.6605 |
logD: | 4.6604 |
logSw: | -4.8128 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 50.979 |
InChI Key: | BORMCTAEYCVQBB-UHFFFAOYSA-N |