7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0306 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | COc1cccc(c1)C(=O)Oc1cc(c2ccc(cc2)[Cl])c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.462 |
| logD: | 5.462 |
| logSw: | -5.9898 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | IGRUTVDFQVNRQU-UHFFFAOYSA-N |