methyl 2-(4-fluoroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(4-fluoroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(4-fluoroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V030-3087 |
| Compound Name: | methyl 2-(4-fluoroanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 445.47 |
| Molecular Formula: | C22 H20 F N O6 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(cc2)F)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4092 |
| logD: | 3.9795 |
| logSw: | -4.389 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.602 |
| InChI Key: | CMQGAZBBWVMXNE-UHFFFAOYSA-N |