methyl 2-anilino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-anilino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-anilino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-2823 |
| Compound Name: | methyl 2-anilino-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 413.45 |
| Molecular Formula: | C21 H19 N O6 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccccc2)SC(=C\c2cc(c(c(c2)OC)O)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2709 |
| logD: | 3.2594 |
| logSw: | -3.5033 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.277 |
| InChI Key: | CEXQDRQXEDRJNH-UHFFFAOYSA-N |