methyl 2-anilino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-9247 |
| Compound Name: | methyl 2-anilino-5-[(3-ethoxy-2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C21 H19 N O5 S |
| Salt: | not_available |
| Smiles: | CCOc1cccc(\C=C2/C(C(=C(Nc3ccccc3)S2)C(=O)OC)=O)c1O |
| Stereo: | ACHIRAL |
| logP: | 4.4549 |
| logD: | 4.409 |
| logSw: | -4.2778 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.227 |
| InChI Key: | PWPJUGAEAALYAD-FOWTUZBSSA-N |