7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
Chemical Structure Depiction of
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate
Compound characteristics
| Compound ID: | D037-0749 |
| Compound Name: | 7-(3-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-methoxybenzoate |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C22 H16 O6 S |
| Smiles: | COc1ccc(cc1)C(=O)Oc1cc(c2cccc(c2)OC)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.9081 |
| logD: | 4.9081 |
| logSw: | -4.7341 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.189 |
| InChI Key: | CVNSUOLPZPPCEO-UHFFFAOYSA-N |