methyl 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2876 |
| Compound Name: | methyl 4-[(4-methoxy-3-nitrophenyl)methylidene]-2-methyl-5-oxo-1-[(oxolan-2-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 402.4 |
| Molecular Formula: | C20 H22 N2 O7 |
| Smiles: | CC1=C(/C(=C/c2ccc(c(c2)[N+]([O-])=O)OC)C(N1CC1CCCO1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7762 |
| logD: | 1.7762 |
| logSw: | -2.1953 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.476 |
| InChI Key: | ZEZLSVGRTCPRDW-CQSZACIVSA-N |