ethyl 5-benzylidene-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-benzylidene-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-benzylidene-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-0013 |
| Compound Name: | ethyl 5-benzylidene-2-(2-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 369.41 |
| Molecular Formula: | C20 H16 F N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2F)SC(=C\c2ccccc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0263 |
| logD: | 4.5391 |
| logSw: | -4.5242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.419 |
| InChI Key: | KPIFKIPQJBHWNG-UHFFFAOYSA-N |