7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
Chemical Structure Depiction of
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate
Compound characteristics
| Compound ID: | D037-0109 |
| Compound Name: | 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl (4-nitrophenoxy)acetate |
| Molecular Weight: | 437.43 |
| Molecular Formula: | C22 H15 N O7 S |
| Smiles: | Cc1ccc(cc1)c1cc(cc2c1OC(=O)S2)OC(COc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9798 |
| logD: | 4.9798 |
| logSw: | -4.6574 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 82.387 |
| InChI Key: | HKDQOOBNJLPMBR-UHFFFAOYSA-N |