methyl 1-(3,4-dimethylphenyl)-2-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-(3,4-dimethylphenyl)-2-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-(3,4-dimethylphenyl)-2-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4693-0603 |
| Compound Name: | methyl 1-(3,4-dimethylphenyl)-2-methyl-5-{[5-(3-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 458.47 |
| Molecular Formula: | C26 H22 N2 O6 |
| Smiles: | CC1=C(C(/C(=C\c2ccc(c3cccc(c3)[N+]([O-])=O)o2)N1c1ccc(C)c(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.0857 |
| logD: | 6.056 |
| logSw: | -5.6082 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.363 |
| InChI Key: | QXEQWYJXHMZSCI-UHFFFAOYSA-N |