methyl 2-(3,4-dimethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-(3,4-dimethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
methyl 2-(3,4-dimethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V021-4068 |
| Compound Name: | methyl 2-(3,4-dimethoxyanilino)-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H20 N2 O5 S |
| Smiles: | Cn1cccc1\C=C1/C(C(=C(Nc2ccc(c(c2)OC)OC)S1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5454 |
| logD: | 3.3491 |
| logSw: | -3.8101 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.696 |
| InChI Key: | KIKCRNYJZKZDJR-UHFFFAOYSA-N |