AC1NKC3S structure

AC1NKC3S

1'-butyl-1-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione

Also Known As: 1'-butyl-1-hexyl-6'-nitro-2'-propyl-2',4'-dihydro-1H,1'H-spiro[pyrimidine-5,3'-quinoline]-2,4,6(3H)-trione|1'-butyl-1-hexyl-6'-nitro-2'-propyl-spiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione|1'-butyl-1-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione|1'-butyl-3-hexyl-6-hydroxy-6'-nitro-2'-propyl-1',4'-dihydro-2H,2'H-spiro[pyrimidine-5,3'-quinoline]-2,4(3H)-dione

CAS: 879449-36-2
Molecular Formula C25H36N4O5
Molecular Weight 472.2686 g/mol
LogP 4.5712
Topological Polar Surface Area 112.86 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
Rotatable Bonds 11
Exact Mass 472.2686
Monoisotopic Mass 472.2686
Heavy Atoms 34
Complexity 949.23376

Chemical Identifiers

CAS Number 879449-36-2
SMILES CCCCCCN1C(=O)C2(CC3=C(C=CC(=C3)[N+](=O)[O-])N(C2CCC)CCCC)C(=O)NC1=O

Product Overview

AC1NKC3S (CAS 879449-36-2), with molecular formula C25H36N4O5 and molecular weight 472.2686 g/mol. IUPAC: 1'-butyl-1-hexyl-6'-nitro-2'-propylspiro[1,3-diazinane-5,3'-2,4-dihydroquinoline]-2,4,6-trione.

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