methyl 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2416 |
| Compound Name: | methyl 1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-[(3-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 422.44 |
| Molecular Formula: | C23 H22 N2 O6 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[N+]([O-])=O)C(N1CCc1ccc(cc1)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7355 |
| logD: | 3.7355 |
| logSw: | -4.0372 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.014 |
| InChI Key: | ZQXBDDSSNSIQTE-UHFFFAOYSA-N |