7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | D037-0215 |
| Compound Name: | 7-(4-ethoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 4-nitrobenzoate |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H15 N O7 S |
| Smiles: | CCOc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2199 |
| logD: | 5.2199 |
| logSw: | -5.0597 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.606 |
| InChI Key: | UJIISWLOBWRUER-UHFFFAOYSA-N |