ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-5095 |
| Compound Name: | ethyl 5-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-(3-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 413.42 |
| Molecular Formula: | C21 H16 F N O5 S |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)F)SC(=C\c2ccc3c(c2)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0326 |
| logD: | 4.5496 |
| logSw: | -4.703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.233 |
| InChI Key: | LSCSEOCRRBVOLY-UHFFFAOYSA-N |