7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0197 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C23 H18 O6 S |
| Smiles: | CCOc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2766 |
| logD: | 5.2766 |
| logSw: | -5.2821 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.769 |
| InChI Key: | BRWPWERLYPNTEK-UHFFFAOYSA-N |