ethyl 2-(4-chloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3770-0005 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(4-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C21 H18 Cl N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C/c2ccc(cc2)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5595 |
| logD: | 5.1298 |
| logSw: | -6.203 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | ZXKZFLBDJLJLDR-UHFFFAOYSA-N |