methyl 1-benzyl-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 1-benzyl-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 1-benzyl-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2245 |
| Compound Name: | methyl 1-benzyl-4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 412.28 |
| Molecular Formula: | C21 H18 Br N O3 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[Br])C(N1Cc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.628 |
| logD: | 4.628 |
| logSw: | -4.5873 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.11 |
| InChI Key: | UYOBPHQGZDOPAX-UHFFFAOYSA-N |