AC1OAKTF structure

AC1OAKTF

5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

Also Known As: AB00659685-06|(5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione|(5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione|(E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione|5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione|5-[1-(benzo[1,3]dioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione|5-[1-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-eth-(E)-ylidene]-1-(4-methoxy-phenyl)-pyrimidine-2,4,6-trion e

CAS: 577695-29-5
Molecular Formula C21H19N3O6
Molecular Weight 409.12738 g/mol
LogP 1.9779
Topological Polar Surface Area 115.14 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 409.12738
Monoisotopic Mass 409.12738
Heavy Atoms 30
Complexity 1241.077

Chemical Identifiers

CAS Number 577695-29-5
SMILES CC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)OC)O

Product Overview

AC1OAKTF (CAS 577695-29-5), with molecular formula C21H19N3O6 and molecular weight 409.12738 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

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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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