7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate
Compound characteristics
| Compound ID: | D037-0193 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methylbenzoate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | CCOc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7177 |
| logD: | 5.7177 |
| logSw: | -5.4955 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.225 |
| InChI Key: | FMLFNMUEAMMERF-UHFFFAOYSA-N |