AC1NJSKE
3'-benzoyl-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: A3753/0159118|1',3'-dimethyl-8-nitro-3-(phenylcarbonyl)-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|3'-benzoyl-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-benzoyl-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-benzoyl-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
| Molecular Formula | C24H23N5O6 |
|---|---|
| Molecular Weight | 477.16483 g/mol |
| LogP | 1.5187 |
| Topological Polar Surface Area | 124.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 477.16483 |
| Monoisotopic Mass | 477.16483 |
| Heavy Atoms | 35 |
| Complexity | 1254.4208 |
Chemical Identifiers
| CAS Number | 727366-00-9 |
|---|---|
| SMILES | CN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CN(CC4)C(=O)C5=CC=CC=C5)C(=O)N(C1=O)C |
Product Overview
AC1NJSKE (CAS 727366-00-9), with molecular formula C24H23N5O6 and molecular weight 477.16483 g/mol. IUPAC: 3'-benzoyl-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.