7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | D037-0553 |
| Compound Name: | 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C25 H18 O6 S |
| Smiles: | Cc1ccc2c(c1)c(C)c(C(=O)Oc1cc(c3ccc(cc3)OC)c3c(c1)SC(=O)O3)o2 |
| Stereo: | ACHIRAL |
| logP: | 6.4094 |
| logD: | 6.4094 |
| logSw: | -5.7948 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.171 |
| InChI Key: | MTEREPJQPANINB-UHFFFAOYSA-N |