7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,6-dimethylphenoxy)acetate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,6-dimethylphenoxy)acetate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,6-dimethylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0111 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2,6-dimethylphenoxy)acetate |
| Molecular Weight: | 420.48 |
| Molecular Formula: | C24 H20 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1c(C)cccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0135 |
| logD: | 6.0135 |
| logSw: | -5.4611 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.179 |
| InChI Key: | FIJIOZAZJACVNZ-UHFFFAOYSA-N |