RefChem:228866

1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one;dihydrochloride

Also Known As: Methyl-4-isopropylallophanimidat|KST-1B4994|1-Butanone, 1-(4-fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-, dihydrochloride|N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-(4'-nitrophenoxy)-2-hydroxypropyl)piperazine 2HCl|1-(4-Fluorophenyl)-4-(4-(2-hydroxy-3-(4-nitrophenoxy)propyl)-1-piperazinyl)-1-butanone 2HCl|1-(4-fluorophenyl)-4-{4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}butan-1-one dihydrochloride|1-(4-fluorophenyl)-4-[4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl]butan-1-one dihydrochloride|1-(4-Fluorophenyl)-4-{4-[2-hydroxy-3-(4-nitrophenoxy)propyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/2)

Molecular Formula	C23H30Cl2FN3O5
Molecular Weight	517.15466 g/mol
LogP	3.5979
Topological Polar Surface Area	98.8 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	517.15466
Monoisotopic Mass	517.15466
Heavy Atoms	34
Complexity	581.0

Chemical Identifiers

CAS Number	5353-29-7
SMILES	C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O.Cl.Cl
InChIKey	OTYCNBHVEHRAPQ-UHFFFAOYSA-N