7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylbenzoate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylbenzoate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylbenzoate
Compound characteristics
| Compound ID: | D037-0140 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-methylbenzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H16 O5 S |
| Smiles: | Cc1ccccc1C(=O)Oc1cc(c2ccc(cc2)OC)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.4189 |
| logD: | 5.4189 |
| logSw: | -5.4782 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | ZZHTWFZJZYZVPJ-UHFFFAOYSA-N |