7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-methylphenoxy)acetate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-methylphenoxy)acetate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0316 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-methylphenoxy)acetate |
| Molecular Weight: | 426.87 |
| Molecular Formula: | C22 H15 Cl O5 S |
| Smiles: | Cc1ccc(cc1)OCC(=O)Oc1cc(c2ccc(cc2)[Cl])c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.6489 |
| logD: | 5.6489 |
| logSw: | -5.9049 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | YYJPIFFWUIZTRR-UHFFFAOYSA-N |