methyl 5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4693-1121 |
| Compound Name: | methyl 5-{[1-(3-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(3,5-dimethylphenyl)-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 474.99 |
| Molecular Formula: | C28 H27 Cl N2 O3 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3cccc(c3)[Cl])c2C)N1c1cc(C)cc(C)c1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.2294 |
| logD: | 6.2261 |
| logSw: | -6.1697 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.076 |
| InChI Key: | ROCYBJIUKIPZHG-UHFFFAOYSA-N |