AC1MI3XF structure

AC1MI3XF

2-[8-(hydroxy-phenyl-pyridin-2-ylmethyl)-3,5-dioxo-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N,N-dimethylacetamide

Also Known As: 5-Norbornene-2,3-dicarboximide, N-(dimethylcarbamoylmethyl)-5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-7-(alpha-2-pyridylbenzylidene)-, hydrate, endo- (1:1)|2-[(10E)-8-(hydroxy-phenyl-pyridin-2-ylmethyl)-3,5-dioxo-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N,N-dimethylacetamide|2-{(8Z)-5-[Hydroxy(phenyl)pyridin-2-ylmethyl]-1,3-dioxo-8-[phenyl(pyridin-2-yl)methylidene]-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}-N,N-dimethylacetamide

CAS: 6434-38-4
Molecular Formula C37H32N4O4
Molecular Weight 596.2424 g/mol
LogP 2.8
Topological Polar Surface Area 104.0 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 596.2424
Monoisotopic Mass 596.2424
Heavy Atoms 45
Complexity 1230.0

Chemical Identifiers

CAS Number 6434-38-4
SMILES CN(C)C(=O)CN1C(=O)C2C3C=C(C(C2C1=O)C3=C(C4=CC=CC=C4)C5=CC=CC=N5)C(C6=CC=CC=C6)(C7=CC=CC=N7)O
InChIKey KBNCEOBCRNFEAY-UHFFFAOYSA-N

Product Overview

AC1MI3XF (CAS 6434-38-4), with molecular formula C37H32N4O4 and molecular weight 596.2424 g/mol. IUPAC: 2-[8-(hydroxy-phenyl-pyridin-2-ylmethyl)-3,5-dioxo-10-[phenyl(pyridin-2-yl)methylidene]-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N,N-dimethylacetamide.

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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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