ethyl 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
ethyl 5-{[2,5-dimethyl-1-(2-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 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: | 5072-0523 |
| Compound Name: | ethyl 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: | 364.44 |
| Molecular Formula: | C22 H24 N2 O3 |
| Smiles: | CCOC(C1=C(C)NC(=C\c2cc(C)n(c3ccccc3C)c2C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1648 |
| logD: | 4.0984 |
| logSw: | -4.0826 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.428 |
| InChI Key: | ZHFHWVUOXSCFCN-UHFFFAOYSA-N |