methyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0014 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-[(4-hydroxy-2-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 443.47 |
| Molecular Formula: | C22 H21 N O7 S |
| Salt: | not_available |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(cc2OC)O)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5968 |
| logD: | 3.4088 |
| logSw: | -3.7983 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.046 |
| InChI Key: | KBHDXQMHYHVAPS-UHFFFAOYSA-N |