7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | D037-0324 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate |
| Molecular Weight: | 388.85 |
| Molecular Formula: | C18 H9 Cl O4 S2 |
| Smiles: | c1cc(C(=O)Oc2cc(c3ccc(cc3)[Cl])c3c(c2)SC(=O)O3)sc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4718 |
| logD: | 5.4718 |
| logSw: | -6.067 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 43.119 |
| InChI Key: | ZVYCGWFFJUKMQF-UHFFFAOYSA-N |