1-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Chemical Structure Depiction of
1-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
1-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine
Compound characteristics
| Compound ID: | Y508-8887 |
| Compound Name: | 1-{5-[(3,4-dichlorophenoxy)methyl]furan-2-yl}-N-[3-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-4-yl]methanimine |
| Molecular Weight: | 397.28 |
| Molecular Formula: | C16 H14 Cl2 N4 O2 S |
| Smiles: | Cc1nnc(n1/N=C/c1ccc(COc2ccc(c(c2)[Cl])[Cl])o1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.1869 |
| logD: | 4.1866 |
| logSw: | -4.3468 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.893 |
| InChI Key: | VVLSUGRNFTWKJJ-UHFFFAOYSA-N |