ethyl 2-(3-chloroanilino)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloroanilino)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloroanilino)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3533-0043 |
| Compound Name: | ethyl 2-(3-chloroanilino)-5-[(3,4-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(Nc2cccc(c2)[Cl])SC(=C/c2ccc(c(c2)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3346 |
| logD: | 4.8515 |
| logSw: | -6.0996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.378 |
| InChI Key: | DQZKQDRXNXAEHD-UHFFFAOYSA-N |