methyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V030-3122 |
| Compound Name: | methyl 2-(4-chloroanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2cccc(c2OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9331 |
| logD: | 4.5034 |
| logSw: | -5.0222 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.885 |
| InChI Key: | WKGVDZDXYNKLLZ-UHFFFAOYSA-N |