7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Chemical Structure Depiction of
7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate
Compound characteristics
| Compound ID: | D037-0366 |
| Compound Name: | 7-(3-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl phenoxyacetate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H16 O5 S |
| Smiles: | Cc1cccc(c1)c1cc(cc2c1OC(=O)S2)OC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9115 |
| logD: | 4.9115 |
| logSw: | -4.7165 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | AAISBXOPDLOILR-UHFFFAOYSA-N |