methyl 2-(2-fluoroanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(2-fluoroanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(2-fluoroanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-5610 |
| Compound Name: | methyl 2-(2-fluoroanilino)-5-[(4-nitrophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C19 H13 F N2 O5 S |
| Smiles: | COC(C1=C(Nc2ccccc2F)SC(=C\c2ccc(cc2)[N+]([O-])=O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3754 |
| logD: | 3.8882 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.221 |
| InChI Key: | IAGVWJSWHRXCMQ-UHFFFAOYSA-N |