methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2414 |
| Compound Name: | methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-4-[(4-nitrophenyl)methylidene]-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 452.46 |
| Molecular Formula: | C24 H24 N2 O7 |
| Smiles: | CC1=C(/C(=C/c2ccc(cc2)[N+]([O-])=O)C(N1CCc1ccc(c(c1)OC)OC)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3875 |
| logD: | 3.3875 |
| logSw: | -3.6647 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.731 |
| InChI Key: | MKZSWERHRMIAFR-UHFFFAOYSA-N |