7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate
Chemical Structure Depiction of
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0254 |
| Compound Name: | 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methoxybenzoate |
| Molecular Weight: | 396.39 |
| Molecular Formula: | C21 H13 F O5 S |
| Smiles: | COc1ccccc1C(=O)Oc1cc(c2ccc(cc2)F)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.0145 |
| logD: | 5.0145 |
| logSw: | -4.7976 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.732 |
| InChI Key: | AFBAVOIJLSOQKZ-UHFFFAOYSA-N |