ethyl 2-(3-chloro-4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-chloro-4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(3-chloro-4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E540-0270 |
| Compound Name: | ethyl 2-(3-chloro-4-fluoroanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 315.75 |
| Molecular Formula: | C13 H11 Cl F N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(c(c2)[Cl])F)SCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5777 |
| logD: | 0.3909 |
| logSw: | -3.6754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.49 |
| InChI Key: | HPSRHQAFIZODEQ-UHFFFAOYSA-N |