methyl 5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 5072-0516 |
| Compound Name: | methyl 5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C21 H22 N2 O3 |
| Smiles: | CC1=C(C(/C(=C\c2cc(C)n(c3ccccc3C)c2C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.5925 |
| logD: | 3.5261 |
| logSw: | -3.8231 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.848 |
| InChI Key: | KJVJXJRYZBIHDM-UHFFFAOYSA-N |