methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V008-3489 |
| Compound Name: | methyl 5-[(3,5-dimethoxyphenyl)methylidene]-2-(4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.44 |
| Molecular Formula: | C21 H18 F N O5 S |
| Smiles: | COC(C1=C(Nc2ccc(cc2)F)SC(=C\c2cc(cc(c2)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4029 |
| logD: | 3.9732 |
| logSw: | -4.3809 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.625 |
| InChI Key: | CRKODCLOAROFAS-UHFFFAOYSA-N |