methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5283-0167 |
| Compound Name: | methyl 4-[(2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 391.42 |
| Molecular Formula: | C23 H21 N O5 |
| Smiles: | CC(c1ccccc1)N1C(C)=C(/C(=C/c2ccc3c(c2)OCO3)C1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9146 |
| logD: | 3.9146 |
| logSw: | -4.0703 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.567 |
| InChI Key: | FUSQRDHCDLAFKV-AWEZNQCLSA-N |