7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0151 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-bromophenoxy)acetate |
| Molecular Weight: | 487.32 |
| Molecular Formula: | C22 H15 Br O6 S |
| Smiles: | COc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.447 |
| logD: | 5.447 |
| logSw: | -5.4589 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.549 |
| InChI Key: | OFKRMIDJSFHZMK-UHFFFAOYSA-N |