7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-4-methoxybenzoate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-4-methoxybenzoate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-4-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0551 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chloro-4-methoxybenzoate |
| Molecular Weight: | 442.87 |
| Molecular Formula: | C22 H15 Cl O6 S |
| Smiles: | COc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 5.1078 |
| logSw: | -5.5078 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.275 |
| InChI Key: | ZHHVYNHJVNFSPJ-UHFFFAOYSA-N |