2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0058 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | Cc1cccc(c1C)OCC(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.4036 |
| logD: | 5.4036 |
| logSw: | -5.5213 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.092 |
| InChI Key: | CFPHMTCMWJDZNJ-UHFFFAOYSA-N |