2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
Chemical Structure Depiction of
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 5-chloro-3-methyl-1-benzofuran-2-carboxylate
Compound characteristics
| Compound ID: | D037-0457 |
| Compound Name: | 2-oxo-7-phenyl-2H-1,3-benzoxathiol-5-yl 5-chloro-3-methyl-1-benzofuran-2-carboxylate |
| Molecular Weight: | 436.87 |
| Molecular Formula: | C23 H13 Cl O5 S |
| Smiles: | Cc1c2cc(ccc2oc1C(=O)Oc1cc(c2ccccc2)c2c(c1)SC(=O)O2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.5443 |
| logD: | 6.5443 |
| logSw: | -6.2193 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.627 |
| InChI Key: | XFWAIZTXTKWABA-UHFFFAOYSA-N |