AC1O3JE6 structure

AC1O3JE6

ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Also Known As: ethyl 4-(2-(4-chlorophenyl)-4-hydroxy-5-oxo-1-(pyridin-3-ylmethyl)-2,5-dihydro-1H-pyrrole-3-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate|ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

CAS: 847366-81-8
Molecular Formula C26H24ClN3O5
Molecular Weight 493.14044 g/mol
LogP 4.47854
Topological Polar Surface Area 112.59 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 6
Exact Mass 493.14044
Monoisotopic Mass 493.14044
Heavy Atoms 35
Complexity 1329.022

Chemical Identifiers

CAS Number 847366-81-8
SMILES CCOC(=O)C1=C(C(=C(N1)C)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)Cl)/O)C

Product Overview

AC1O3JE6 (CAS 847366-81-8), with molecular formula C26H24ClN3O5 and molecular weight 493.14044 g/mol. IUPAC: ethyl 4-[(E)-[2-(4-chlorophenyl)-4,5-dioxo-1-(pyridin-3-ylmethyl)pyrrolidin-3-ylidene]-hydroxymethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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