7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-2-methylphenoxy)acetate
Chemical Structure Depiction of
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-2-methylphenoxy)acetate
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-2-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0294 |
| Compound Name: | 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-chloro-2-methylphenoxy)acetate |
| Molecular Weight: | 444.86 |
| Molecular Formula: | C22 H14 Cl F O5 S |
| Smiles: | Cc1cc(ccc1OCC(=O)Oc1cc(c2ccc(cc2)F)c2c(c1)SC(=O)O2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1625 |
| logD: | 6.1625 |
| logSw: | -6.0934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.092 |
| InChI Key: | VAFGXAMJFGLILI-UHFFFAOYSA-N |