7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | D037-0274 |
| Compound Name: | 7-(4-fluorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate |
| Molecular Weight: | 356.33 |
| Molecular Formula: | C18 H9 F O5 S |
| Smiles: | c1cc(C(=O)Oc2cc(c3ccc(cc3)F)c3c(c2)SC(=O)O3)oc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0774 |
| logD: | 4.0774 |
| logSw: | -4.4343 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.68 |
| InChI Key: | KNEUNGXRIOIJQN-UHFFFAOYSA-N |