methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5618-4118 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-1-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 423.42 |
| Molecular Formula: | C23 H21 N O7 |
| Smiles: | CC1=C(/C(=C/c2ccc3c(c2)OCO3)C(N1c1ccc(c(c1)OC)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.9245 |
| logD: | 2.9245 |
| logSw: | -3.1838 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.875 |
| InChI Key: | RFIYMBAIHGQYKI-UHFFFAOYSA-N |