7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate
Compound characteristics
| Compound ID: | D037-0072 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3-methylbenzoate |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C22 H16 O4 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5995 |
| logD: | 5.5995 |
| logSw: | -5.5061 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 42.101 |
| InChI Key: | MHIJFEACZSMZPA-UHFFFAOYSA-N |