1-{5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-9072 |
| Compound Name: | 1-{5-[(2-chloro-6-methylphenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-(furan-2-yl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | CCSc1nnc(c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.2566 |
| logD: | 5.2565 |
| logSw: | -5.8158 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.596 |
| InChI Key: | NODUABXAUIRUAN-UHFFFAOYSA-N |