2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-methylpropanoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-methylpropanoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-methylpropanoate
Compound characteristics
| Compound ID: | D037-0059 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 2-methylpropanoate |
| Molecular Weight: | 314.36 |
| Molecular Formula: | C17 H14 O4 S |
| Smiles: | CC(C)C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.3911 |
| logD: | 4.3911 |
| logSw: | -4.4034 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.373 |
| InChI Key: | HYLNTTYZOQTKDW-UHFFFAOYSA-N |