methyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 6174-0254 |
| Compound Name: | methyl 5-[(4-tert-butylphenyl)methylidene]-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | CC1=C(C(/C(=C/c2ccc(cc2)C(C)(C)C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1566 |
| logD: | 3.9903 |
| logSw: | -4.2835 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | CXBYNVCTEKXMAC-UHFFFAOYSA-N |