7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0077 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methoxybenzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H16 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2906 |
| logD: | 5.2906 |
| logSw: | -5.4353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | VOMNODHZYLUMOA-UHFFFAOYSA-N |