7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,6,7-trimethyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,6,7-trimethyl-1-benzofuran-2-carboxylate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,6,7-trimethyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | D037-0549 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,6,7-trimethyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 460.5 |
| Molecular Formula: | C26 H20 O6 S |
| Smiles: | Cc1ccc2c(C)c(C(=O)Oc3cc(c4ccc(cc4)OC)c4c(c3)SC(=O)O4)oc2c1C |
| Stereo: | ACHIRAL |
| logP: | 6.8027 |
| logD: | 6.8027 |
| logSw: | -5.8457 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.404 |
| InChI Key: | PIRYYSOPOQPYEG-UHFFFAOYSA-N |