ethyl 2-(4-fluoroanilino)-5-[(6-methylpyridin-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-fluoroanilino)-5-[(6-methylpyridin-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-fluoroanilino)-5-[(6-methylpyridin-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
Compound ID: | V020-7634 |
Compound Name: | ethyl 2-(4-fluoroanilino)-5-[(6-methylpyridin-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
Molecular Weight: | 384.43 |
Molecular Formula: | C20 H17 F N2 O3 S |
Salt: | not_available |
Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C\c2cccc(C)n2)\C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.4676 |
logD: | 3.9807 |
logSw: | -4.247 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.035 |
InChI Key: | CWPWQPSFTUNBDV-UHFFFAOYSA-N |