methyl 2-(3,4-dimethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0002 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(c(\C=C2/C(C(=C(Nc3ccc(c(c3)OC)OC)S2)C(=O)OC)=O)c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1598 |
| logD: | 3.9718 |
| logSw: | -3.9942 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.346 |
| InChI Key: | MHFDHHVUTOISAR-VCHYOVAHSA-N |