methyl 5-[(2-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(2-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 5-[(2-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V022-9302 |
| Compound Name: | methyl 5-[(2-hydroxy-4-methoxyphenyl)methylidene]-2-(2-methoxyanilino)-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Smiles: | COC(C1=C(Nc2ccccc2OC)SC(=C\c2ccc(cc2O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.331 |
| logD: | 4.0871 |
| logSw: | -4.1412 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.562 |
| InChI Key: | PWLDDTVJTQDYSS-LICLKQGHSA-N |