AC1LXOFB structure

AC1LXOFB

ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

Also Known As: (E)-ethyl 3-(2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)-2-cyanoacrylate|ethyl (2E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate|ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate

CAS: 796877-08-2
Molecular Formula C26H27N5O3
Molecular Weight 457.2114 g/mol
LogP 2.7952
Topological Polar Surface Area 90.94 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 6
Exact Mass 457.2114
Monoisotopic Mass 457.2114
Heavy Atoms 34
Complexity 1316.0009

Chemical Identifiers

CAS Number 796877-08-2
SMILES CCOC(=O)/C(=C/C1=C(N=C2C(=CC=CN2C1=O)C)N3CCN(CC3)CC4=CC=CC=C4)/C#N

Product Overview

AC1LXOFB (CAS 796877-08-2), with molecular formula C26H27N5O3 and molecular weight 457.2114 g/mol. IUPAC: ethyl (E)-3-[2-(4-benzylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-cyanoprop-2-enoate.

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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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