methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-4594 |
| Compound Name: | methyl 5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C21 H18 F N O5 S |
| Smiles: | CCOc1cc(\C=C2/C(C(=C(Nc3cccc(c3)F)S2)C(=O)OC)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 4.2641 |
| logD: | 3.781 |
| logSw: | -4.0125 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.296 |
| InChI Key: | BCEXUUBDDFSYJL-LICLKQGHSA-N |