7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Chemical Structure Depiction of
7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate
Compound characteristics
| Compound ID: | D037-0951 |
| Compound Name: | 7-(2-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl benzoate |
| Molecular Weight: | 362.4 |
| Molecular Formula: | C21 H14 O4 S |
| Smiles: | Cc1ccccc1c1cc(cc2c1OC(=O)S2)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9286 |
| logD: | 4.9286 |
| logSw: | -4.7776 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.101 |
| InChI Key: | ZNJSFGVZDYWBFH-UHFFFAOYSA-N |