1-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-8885 |
| Compound Name: | 1-{5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}-N-[3-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 427.7 |
| Molecular Formula: | C15 H12 Br Cl N4 O2 S |
| Smiles: | CSc1nncn1/N=C/c1ccc(COc2ccc(cc2[Cl])[Br])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.9556 |
| logD: | 3.955 |
| logSw: | -4.229 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.24 |
| InChI Key: | DVPXETYQMFQJMW-UHFFFAOYSA-N |