ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V019-1810 |
| Compound Name: | ethyl 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.45 |
| Molecular Formula: | C22 H18 F N O5 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C\c2ccc3c(c2)OCCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0477 |
| logD: | 3.618 |
| logSw: | -4.0186 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.94 |
| InChI Key: | XEPXJVXSIXOKBW-UHFFFAOYSA-N |