7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Chemical Structure Depiction of
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Compound characteristics
| Compound ID: | D037-0744 |
| Compound Name: | 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate |
| Molecular Weight: | 378.4 |
| Molecular Formula: | C21 H14 O5 S |
| Smiles: | COc1cccc(c1)c1cc(cc2c1OC(=O)S2)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8206 |
| logD: | 4.8206 |
| logSw: | -4.7839 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | BRZKCHWPOQAINQ-UHFFFAOYSA-N |