AC1MI3TF
8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-propyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Also Known As: 4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-5-(hydroxyphenyl-2-pyridinylmethyl)-2-propyl-8-(phenyl-2-pyridinylmethylene)-|5-Norbornene-2,3-dicarboximide, 5-(alpha-hydroxy-alpha-2-pyridylbenzyl)-N-propyl-7-(alpha-2-pyridylbenzylidene)-, endo-|8-(Hydroxy(phenyl)pyridin-2-ylmethyl)-10-(phenyl(pyridin-2-yl)methylidene)-4-propyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
| Molecular Formula | C36H31N3O3 |
|---|---|
| Molecular Weight | 553.2366 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 83.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 553.2366 |
| Monoisotopic Mass | 553.2366 |
| Heavy Atoms | 42 |
| Complexity | 1100.0 |
Chemical Identifiers
| CAS Number | 4634-51-9 |
|---|---|
| SMILES | CCCN1C(=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 | PVCKRKALSRCZBS-UHFFFAOYSA-N |
Product Overview
AC1MI3TF (CAS 4634-51-9), with molecular formula C36H31N3O3 and molecular weight 553.2366 g/mol. IUPAC: 8-(hydroxy-phenyl-pyridin-2-ylmethyl)-10-[phenyl(pyridin-2-yl)methylidene]-4-propyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
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