1-{5-[(2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-8648 |
| Compound Name: | 1-{5-[(2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(ethylsulfanyl)-5-methyl-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 376.86 |
| Molecular Formula: | C17 H17 Cl N4 O2 S |
| Smiles: | CCSc1nnc(C)n1/N=C/c1ccc(COc2ccccc2[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.6478 |
| logD: | 3.6476 |
| logSw: | -3.7821 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.979 |
| InChI Key: | URYHGMXZERVLLR-UHFFFAOYSA-N |