AC1OB6JA

1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide

Also Known As: AK-968/15606169|1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]piperidine-4-carboxamide|1-(2-chloro-4-fluorobenzyl)-N'-({6-nitro-1,3-benzodioxol-5-yl}methylene)-4-piperidinecarbohydrazide|1-(2-chloro-4-fluorobenzyl)-N'-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylidene]piperidine-4-carbohydrazide|N-[(1E)-2-(6-nitro(2H-benzo[3,4-d]1,3-dioxolan-5-yl))-1-azavinyl]{1-[(2-chloro -4-fluorophenyl)methyl](4-piperidyl)}carboxamide

Molecular Formula	C21H20ClFN4O5
Molecular Weight	462.11063 g/mol
LogP	3.4783
Topological Polar Surface Area	106.3 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	6
Exact Mass	462.11063
Monoisotopic Mass	462.11063
Heavy Atoms	32
Complexity	1072.3958

Chemical Identifiers

CAS Number	444934-41-2
SMILES	C1CN(CCC1C(=O)N/N=C/C2=CC3=C(C=C2[N+](=O)[O-])OCO3)CC4=C(C=C(C=C4)F)Cl