2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl pentanoate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl pentanoate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl pentanoate
Compound characteristics
| Compound ID: | D037-0061 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl pentanoate |
| Molecular Weight: | 328.38 |
| Molecular Formula: | C18 H16 O4 S |
| Smiles: | CCCCC(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.7702 |
| logD: | 4.7702 |
| logSw: | -4.622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 41.778 |
| InChI Key: | JYJADZDKQTVYTK-UHFFFAOYSA-N |