AC1NKK85 structure

AC1NKK85

3'-(4-methoxyphenyl)-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: 2',6'-dihydroxy-3-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,4'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidin]-4'-one|3'-(4-methoxyphenyl)-8'-nitrospiro[1,3-diazinane-5,5'-2,4,4a,6-tetrahydro-1H-pyrazino[1,2-a]quinoline]-2,4,6-trione|3-(4-methoxyphenyl)-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

CAS: 879461-33-3
Molecular Formula C22H21N5O6
Molecular Weight 451.14917 g/mol
LogP 1.2071
Topological Polar Surface Area 134.12 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 3
Exact Mass 451.14917
Monoisotopic Mass 451.14917
Heavy Atoms 33
Complexity 1160.299

Chemical Identifiers

CAS Number 879461-33-3
SMILES COC1=CC=C(C=C1)N2CCN3C(C2)C4(CC5=C3C=CC(=C5)[N+](=O)[O-])C(=O)NC(=O)NC4=O

Product Overview

AC1NKK85 (CAS 879461-33-3), with molecular formula C22H21N5O6 and molecular weight 451.14917 g/mol. IUPAC: 3'-(4-methoxyphenyl)-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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