methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0683 |
| Compound Name: | methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-[(furan-2-yl)methyl]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C27 H28 N2 O4 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3c(C)cccc3C)c2C)C(N1Cc1ccco1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.5265 |
| logD: | 4.5265 |
| logSw: | -4.4458 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.922 |
| InChI Key: | QCAPKOZUNIGPPX-UHFFFAOYSA-N |