ethyl 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5648-3125 |
| Compound Name: | ethyl 5-{[5-(4-chlorophenyl)furan-2-yl]methylidene}-2-(4-methylbenzamido)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 493.96 |
| Molecular Formula: | C26 H20 Cl N O5 S |
| Smiles: | CCOC(C1=C(NC(c2ccc(C)cc2)=O)SC(=C/c2ccc(c3ccc(cc3)[Cl])o2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5932 |
| logD: | 3.6142 |
| logSw: | -6.3676 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.866 |
| InChI Key: | AUIQCHWBEAERQW-UHFFFAOYSA-N |