7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Compound characteristics
| Compound ID: | D037-0146 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | COc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5024 |
| logD: | 5.5024 |
| logSw: | -5.9759 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | GBUUYKODHVWJPQ-UHFFFAOYSA-N |