AC1NKK0Q structure

AC1NKK0Q

3'-benzyl-1,3-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione

Also Known As: A3893/0165541|3'-benzyl-1,3-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione|3'-BENZYL-1,5-DIMETHYL-8'-NITRO-1',2',3',4',4'A,6'-HEXAHYDROSPIRO[1,5-DIAZINANE-3,5'-PYRAZINO[1,2-A]QUINOLINE]-2,4,6-TRIONE|3-benzyl-1',3'-dimethyl-8-nitro-1,2,3,4,4a,6-hexahydro-1'H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(3'H)-trione|3-benzyl-1',3'-dimethyl-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

CAS: 727366-99-6
Molecular Formula C24H25N5O5
Molecular Weight 463.18558 g/mol
LogP 1.8785
Topological Polar Surface Area 107.31 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 3
Exact Mass 463.18558
Monoisotopic Mass 463.18558
Heavy Atoms 34
Complexity 1175.4948

Chemical Identifiers

CAS Number 727366-99-6
SMILES CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)CC5=CC=CC=C5)C(=O)N(C1=O)C

Product Overview

AC1NKK0Q (CAS 727366-99-6), with molecular formula C24H25N5O5 and molecular weight 463.18558 g/mol. IUPAC: 3'-benzyl-1,3-dimethyl-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione.

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