methyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2433 |
| Compound Name: | methyl 2-anilino-5-[(4-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 351.42 |
| Molecular Formula: | C20 H17 N O3 S |
| Smiles: | Cc1ccc(/C=C2/C(C(=C(Nc3ccccc3)S2)C(=O)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6418 |
| logD: | 4.6302 |
| logSw: | -4.4602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.537 |
| InChI Key: | PHQOGHPGSXSYTG-UHFFFAOYSA-N |