ethyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
ethyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3947-1832 |
| Compound Name: | ethyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C21 H19 N O3 S |
| Smiles: | CCOC(C1=C(Nc2ccccc2)SC(=C/c2ccc(C)cc2)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2141 |
| logD: | 5.2025 |
| logSw: | -5.0926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.117 |
| InChI Key: | WYCOSGXCFKMOHA-UHFFFAOYSA-N |