methyl 2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8013-6472 |
| Compound Name: | methyl 2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 392.41 |
| Molecular Formula: | C22 H20 N2 O5 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)[N+]([O-])=O)C(N1CCc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8705 |
| logD: | 3.8705 |
| logSw: | -4.0886 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.47 |
| InChI Key: | NAFGSKSXIFGJNN-UHFFFAOYSA-N |