methyl 2-(3-fluoroanilino)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3-fluoroanilino)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3-fluoroanilino)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-0157 |
| Compound Name: | methyl 2-(3-fluoroanilino)-5-[(2-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 401.41 |
| Molecular Formula: | C20 H16 F N O5 S |
| Smiles: | COC(C1=C(Nc2cccc(c2)F)SC(=C\c2cccc(c2O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3677 |
| logD: | 3.8847 |
| logSw: | -4.3674 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.647 |
| InChI Key: | PUVVWVTXIGWJIU-OQLLNIDSSA-N |