ethyl 5-[(4-cyanophenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-cyanophenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 5-[(4-cyanophenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-4593 |
| Compound Name: | ethyl 5-[(4-cyanophenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C22 H18 N2 O4 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2OC)SC(=C\c2ccc(C#N)cc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6494 |
| logD: | 4.4055 |
| logSw: | -4.3942 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.106 |
| InChI Key: | FSYDNDWJWXTLLB-LDADJPATSA-N |