methyl 2-anilino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2424 |
| Compound Name: | methyl 2-anilino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Smiles: | CCOc1cc(/C=C2/C(C(=C(Nc3ccccc3)S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 3.9189 |
| logD: | 3.9074 |
| logSw: | -3.6531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | ROLUZCKYOMZRGU-UHFFFAOYSA-N |