AC1NKKQ5

1-tert-butyl-3'-nitrospiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione

Also Known As: A4085/0174129|1-tert-butyl-3'-nitrospiro[1,3-diazinane-5,6'-6a,7,8,9,10,11-hexahydro-5H-azepino[1,2-a]quinoline]-2,4,6-trione|1'-(tert-butyl)-3-nitro-6a,7,8,9,10,11-hexahydro-1'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(3'H)-trione|1'-tert-butyl-2'-hydroxy-3-nitro-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione|1'-tert-butyl-3-nitro-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione|5'-TERT-BUTYL-3-NITRO-6A,7,8,9,10,11-HEXAHYDRO-5H-SPIRO[AZEPINO[1,2-A]QUINOLINE-6,3'-[1,5]DIAZINANE]-2',4',6'-TRIONE

Molecular Formula	C21H26N4O5
Molecular Weight	414.1903 g/mol
LogP	2.7632
Topological Polar Surface Area	112.86 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	414.1903
Monoisotopic Mass	414.1903
Heavy Atoms	30
Complexity	953.2054

Chemical Identifiers

CAS Number	893767-49-2
SMILES	CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N4C2CCCCC4)C(=O)NC1=O