7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | D037-0314 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccc(cc2)[Cl])c2c(c1)SC(=O)O2)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1969 |
| logD: | 5.1969 |
| logSw: | -5.712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | ZFYKALMHIMWPRS-UHFFFAOYSA-N |