4-[({5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[({5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
4-[({5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y503-4729 |
| Compound Name: | 4-[({5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl}methylidene)amino]-5-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 441.73 |
| Molecular Formula: | C16 H14 Br Cl N4 O2 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(COc2ccc(cc2[Cl])[Br])o1)S |
| Stereo: | ACHIRAL |
| logP: | 4.0605 |
| logD: | 3.5678 |
| logSw: | -4.2712 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.652 |
| InChI Key: | XOCWITUQZBQURM-UHFFFAOYSA-N |