2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0017 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (4-fluorophenoxy)acetate |
| Molecular Weight: | 396.39 |
| Molecular Formula: | C21 H13 F O5 S |
| Smiles: | C(C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2)Oc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 4.5548 |
| logD: | 4.5548 |
| logSw: | -4.5517 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.005 |
| InChI Key: | CMZRWVQDYKGKIR-UHFFFAOYSA-N |