methyl 2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0384 |
| Compound Name: | methyl 2-methyl-4-[(2-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/c2ccccc2[N+]([O-])=O)C(N1CCc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6212 |
| logD: | 3.6212 |
| logSw: | -3.8573 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.169 |
| InChI Key: | IOWAKKKKQVUXGY-UHFFFAOYSA-N |