7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-methylphenoxy)acetate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-methylphenoxy)acetate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-methylphenoxy)acetate
Compound characteristics
| Compound ID: | D037-0090 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (2-methylphenoxy)acetate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C23 H18 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5288 |
| logD: | 5.5288 |
| logSw: | -5.4741 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.092 |
| InChI Key: | NNVJVTREFPHLET-UHFFFAOYSA-N |