methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-0325 |
| Compound Name: | methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 322.16 |
| Molecular Formula: | C14 H12 Br N O3 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[Br])C(N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.8287 |
| logD: | 2.6137 |
| logSw: | -3.3397 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.036 |
| InChI Key: | PSQWEVGHXMIKOI-UHFFFAOYSA-N |