7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | D037-0511 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C25 H18 O5 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1c(C)c2cc(C)ccc2o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8505 |
| logD: | 6.8505 |
| logSw: | -5.7798 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.627 |
| InChI Key: | SERXKEFUDAHNHS-UHFFFAOYSA-N |