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
| 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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