methyl 2-anilino-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2429 |
| Compound Name: | methyl 2-anilino-5-[(3-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 353.39 |
| Molecular Formula: | C19 H15 N O4 S |
| Smiles: | COC(C1=C(Nc2ccccc2)SC(=C/c2cccc(c2)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7173 |
| logD: | 3.7057 |
| logSw: | -3.7772 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.154 |
| InChI Key: | QACUBQWCGAZUDO-UHFFFAOYSA-N |