methyl 2-(3,4-dimethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0622 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-4-oxo-5-[(2,3,4-trimethoxyphenyl)methylidene]-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C24 H25 N O8 S |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(c(c2OC)OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9151 |
| logD: | 3.7271 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.863 |
| InChI Key: | GZTVGTSKPOQOAF-UHFFFAOYSA-N |