ethyl [2-(2-methoxy-4-nitroanilino)-2-oxoethanesulfinyl]acetate
Chemical Structure Depiction of
ethyl [2-(2-methoxy-4-nitroanilino)-2-oxoethanesulfinyl]acetate
ethyl [2-(2-methoxy-4-nitroanilino)-2-oxoethanesulfinyl]acetate
Compound characteristics
| Compound ID: | K781-0948 |
| Compound Name: | ethyl [2-(2-methoxy-4-nitroanilino)-2-oxoethanesulfinyl]acetate |
| Molecular Weight: | 344.34 |
| Molecular Formula: | C13 H16 N2 O7 S |
| Smiles: | CCOC(CS(CC(Nc1ccc(cc1OC)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8481 |
| logD: | 0.8065 |
| logSw: | -2.533 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.905 |
| InChI Key: | NCWCUWBWXWFVSS-UHFFFAOYSA-N |