methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9974 |
| Compound Name: | methyl 2-(4-chloroanilino)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Smiles: | CCOc1cc(\C=C2/C(C(=C(Nc3ccc(cc3)[Cl])S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.7054 |
| logD: | 4.2756 |
| logSw: | -4.7091 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | ZHPZGUGQXDFMFR-UHFFFAOYSA-N |