methyl 4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2368 |
| Compound Name: | methyl 4-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]-2-methyl-5-oxo-1-(2-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 470.32 |
| Molecular Formula: | C23 H20 Br N O5 |
| Smiles: | CC1=C(/C(=C/c2cc3c(cc2[Br])OCO3)C(N1CCc1ccccc1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2058 |
| logD: | 4.2058 |
| logSw: | -4.3477 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.204 |
| InChI Key: | VXXYKCMQVHEYKN-UHFFFAOYSA-N |