methyl 2-anilino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 4302-2420 |
| Compound Name: | methyl 2-anilino-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C20 H17 N O5 S |
| Smiles: | COC(C1=C(Nc2ccccc2)SC(=C/c2ccc(c(c2)OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4002 |
| logD: | 3.3886 |
| logSw: | -3.5244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.716 |
| InChI Key: | VTSHGLXZTNLIFS-UHFFFAOYSA-N |