methyl 2-(3,4-dimethoxyanilino)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V023-0602 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-[(2,4-dimethoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C23 H23 N O7 S |
| Smiles: | COC(C1=C(Nc2ccc(c(c2)OC)OC)SC(=C\c2ccc(cc2OC)OC)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1323 |
| logD: | 3.9443 |
| logSw: | -4.3984 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.972 |
| InChI Key: | VFPVKFASBUFMFO-UHFFFAOYSA-N |