7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-fluorobenzoate
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-fluorobenzoate
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-fluorobenzoate
Compound characteristics
| Compound ID: | D037-0244 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-fluorobenzoate |
| Molecular Weight: | 410.42 |
| Molecular Formula: | C22 H15 F O5 S |
| Smiles: | CCOc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4481 |
| logD: | 5.4481 |
| logSw: | -5.4446 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.225 |
| InChI Key: | SXLQUSQZBKQLDE-UHFFFAOYSA-N |