7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | D037-0325 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl furan-2-carboxylate |
| Molecular Weight: | 372.78 |
| Molecular Formula: | C18 H9 Cl O5 S |
| Smiles: | c1cc(C(=O)Oc2cc(c3ccc(cc3)[Cl])c3c(c2)SC(=O)O3)oc1 |
| Stereo: | ACHIRAL |
| logP: | 4.643 |
| logD: | 4.643 |
| logSw: | -5.0408 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.68 |
| InChI Key: | QDDDKFUAYJAJSA-UHFFFAOYSA-N |