7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0182 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-3-methylphenoxy)acetate |
| Molecular Weight: | 456.9 |
| Molecular Formula: | C23 H17 Cl O6 S |
| Smiles: | Cc1cc(ccc1[Cl])OCC(=O)Oc1cc(c2ccc(cc2)OC)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.8925 |
| logD: | 5.8925 |
| logSw: | -5.9501 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.549 |
| InChI Key: | INIDUGKUXHZIJE-UHFFFAOYSA-N |