methyl 1-benzyl-2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-benzyl-2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-benzyl-2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2357 |
| Compound Name: | methyl 1-benzyl-2-methyl-4-[(2-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 378.38 |
| Molecular Formula: | C21 H18 N2 O5 |
| Smiles: | CC1=C(/C(=C/c2ccccc2[N+]([O-])=O)C(N1Cc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5221 |
| logD: | 3.5221 |
| logSw: | -3.7326 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.191 |
| InChI Key: | HSKFFDLEDHKIEL-UHFFFAOYSA-N |