ethyl 2-(4-chloroanilino)-5-[(3-cyanophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chloroanilino)-5-[(3-cyanophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-(4-chloroanilino)-5-[(3-cyanophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V005-9927 |
| Compound Name: | ethyl 2-(4-chloroanilino)-5-[(3-cyanophenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 410.88 |
| Molecular Formula: | C21 H15 Cl N2 O3 S |
| Smiles: | CCOC(C1=C(Nc2ccc(cc2)[Cl])SC(=C\c2cccc(C#N)c2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2312 |
| logD: | 4.8014 |
| logSw: | -5.7857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.173 |
| InChI Key: | ZTCKIXFEYHEJLL-UHFFFAOYSA-N |