methyl 2-(3-chloroanilino)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-chloroanilino)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-chloroanilino)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V003-4381 |
| Compound Name: | methyl 2-(3-chloroanilino)-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 431.89 |
| Molecular Formula: | C21 H18 Cl N O5 S |
| Salt: | not_available |
| Smiles: | CCOc1cccc(\C=C2/C(C(=C(Nc3cccc(c3)[Cl])S2)C(=O)OC)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 5.4002 |
| logD: | 4.9172 |
| logSw: | -5.4305 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.227 |
| InChI Key: | KBDHWAWYRAIQQD-UHFFFAOYSA-N |