ethyl 2-(3-fluoroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-fluoroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-fluoroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V026-0932 |
| Compound Name: | ethyl 2-(3-fluoroanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 372.42 |
| Molecular Formula: | C19 H17 F N2 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1=C(Nc2cccc(c2)F)SC(=C\c2cccn2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7361 |
| logD: | 4.2374 |
| logSw: | -4.4593 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.015 |
| InChI Key: | STEDNKZDKIWSAB-UHFFFAOYSA-N |