ethyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
ethyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4257-3883 |
| Compound Name: | ethyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 313.4 |
| Molecular Formula: | C19 H23 N O3 |
| Smiles: | CCOC(C1=C(C)NC(=C/c2ccc(cc2)C(C)(C)C)\C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7289 |
| logD: | 4.5627 |
| logSw: | -4.4212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.064 |
| InChI Key: | KMSWQYJZKVIIQP-UHFFFAOYSA-N |