methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2139 |
| Compound Name: | methyl 4-[(3-bromophenyl)methylidene]-2-methyl-5-oxo-1-[(pyridin-3-yl)methyl]-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 413.27 |
| Molecular Formula: | C20 H17 Br N2 O3 |
| Smiles: | CC1=C(/C(=C/c2cccc(c2)[Br])C(N1Cc1cccnc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.3148 |
| logD: | 3.3148 |
| logSw: | -3.1878 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.628 |
| InChI Key: | LOKQDLQZYCMPOK-UHFFFAOYSA-N |