7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate
Compound characteristics
| Compound ID: | D037-0189 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-chlorobenzoate |
| Molecular Weight: | 412.85 |
| Molecular Formula: | C21 H13 Cl O5 S |
| Smiles: | COc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.4502 |
| logD: | 5.4502 |
| logSw: | -5.9362 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | BQCSLPANCDXUFG-UHFFFAOYSA-N |