7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
Chemical Structure Depiction of
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0801 |
| Compound Name: | 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,3-dimethylphenoxy)acetate |
| Molecular Weight: | 436.48 |
| Molecular Formula: | C24 H20 O6 S |
| Smiles: | Cc1cccc(c1C)OCC(=O)Oc1cc(c2cccc(c2)OC)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.5091 |
| logD: | 5.5091 |
| logSw: | -5.5172 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.636 |
| InChI Key: | JSKHKUPQPRWOLG-UHFFFAOYSA-N |