ethyl 5-[(3-chlorophenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-chlorophenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(3-chlorophenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2351 |
| Compound Name: | ethyl 5-[(3-chlorophenyl)methylidene]-2-(4-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 415.89 |
| Molecular Formula: | C21 H18 Cl N O4 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)OC)SC(=C/c2cccc(c2)[Cl])\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5037 |
| logD: | 5.4797 |
| logSw: | -5.9743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.661 |
| InChI Key: | OMENOCHVFXDQCQ-UHFFFAOYSA-N |