methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2856 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C25 H25 N O7 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1CCc1ccc(c(c1)OC)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3587 |
| logD: | 3.3587 |
| logSw: | -3.4057 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.465 |
| InChI Key: | FCEOQSVQGRDOJX-UHFFFAOYSA-N |