ethyl 2-(4-fluoroanilino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-fluoroanilino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-fluoroanilino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4923-3318 |
| Compound Name: | ethyl 2-(4-fluoroanilino)-5-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 458.42 |
| Molecular Formula: | C21 H15 F N2 O7 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)F)SC(=C/c2cc3c(cc2[N+]([O-])=O)OCO3)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.761 |
| logD: | 4.3313 |
| logSw: | -4.5674 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.313 |
| InChI Key: | KRWUZEQPBFTIDJ-UHFFFAOYSA-N |