methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-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}-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}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0729 |
| Compound Name: | methyl 4-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 364.44 |
| Molecular Formula: | C22 H24 N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cc(C)n(c3c(C)cccc3C)c2C)C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4737 |
| logD: | 3.4211 |
| logSw: | -3.6671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.099 |
| InChI Key: | ZLQGFXVCBBCBJQ-UHFFFAOYSA-N |