ethyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2402 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C22 H20 Cl N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2cccc(c2OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5054 |
| logD: | 5.0757 |
| logSw: | -5.8975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.465 |
| InChI Key: | ZLLBRPUXRPXDRH-UHFFFAOYSA-N |