RefChem:228849

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

Also Known As: KST-1B4995|N1-(3-(4'-Fluorobenzoyl)propyl)-N2-(3-phenylthio-2-hydroxypropyl)piperazine dihydrochloride|1-Butanone, 1-(4-fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-, dihydrochloride|1-(4-Fluorobenzoyl)-4-(4-(2-hydroxy-3-(phenylthio)propyl)-1-piperazinyl)-1-butanone 2HCl|1-(4-fluorophenyl)-4-{4-[2-hydroxy-3-(phenylsulfanyl)propyl]piperazin-1-yl}butan-1-one dihydrochloride|1-(4-fluorophenyl)-4-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one dihydrochloride|1-(4-fluorophenyl)-4-[4-(2-hydroxy-3-phenylsulfanylpropyl)piperazin-1-yl]butan-1-one,dihydrochloride|1-(4-Fluorophenyl)-4-{4-[2-hydroxy-3-(phenylsulfanyl)propyl]piperazin-1-yl}butan-1-one--hydrogen chloride (1/2)

Molecular Formula	C23H31Cl2FN2O2S
Molecular Weight	488.14673 g/mol
LogP	4.403
Topological Polar Surface Area	69.1 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	10
Exact Mass	488.14673
Monoisotopic Mass	488.14673
Heavy Atoms	31
Complexity	473.0

Chemical Identifiers

CAS Number	53533-29-2
SMILES	C1CN(CCN1CCCC(=O)C2=CC=C(C=C2)F)CC(CSC3=CC=CC=C3)O.Cl.Cl
InChIKey	PHPUOMKQRFCFGM-UHFFFAOYSA-N