7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D037-0139 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C22 H16 O5 S |
| Smiles: | Cc1cccc(c1)C(=O)Oc1cc(c2ccc(cc2)OC)c2c(c1)SC(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 5.1585 |
| logD: | 5.1585 |
| logSw: | -5.0943 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 49.645 |
| InChI Key: | VLELBCWWMNMBMY-UHFFFAOYSA-N |