7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-nitrobenzoate
Chemical Structure Depiction of
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-nitrobenzoate
7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | D037-0332 |
| Compound Name: | 7-(4-chlorophenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 2-nitrobenzoate |
| Molecular Weight: | 427.82 |
| Molecular Formula: | C20 H10 Cl N O6 S |
| Smiles: | c1ccc(c(c1)C(=O)Oc1cc(c2ccc(cc2)[Cl])c2c(c1)SC(=O)O2)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3052 |
| logD: | 5.3052 |
| logSw: | -5.8795 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.182 |
| InChI Key: | PNDOHZPAHILBIW-UHFFFAOYSA-N |