7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)propanoate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)propanoate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)propanoate
Compound characteristics
| Compound ID: | D037-0121 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-(4-fluorophenoxy)propanoate |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H17 F O5 S |
| Smiles: | CC(C(=O)Oc1cc(c2ccc(C)cc2)c2c(c1)SC(=O)O2)Oc1ccc(cc1)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6566 |
| logD: | 5.6566 |
| logSw: | -5.4519 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 48.89 |
| InChI Key: | UGJPVLKITKGAGR-AWEZNQCLSA-N |