AC1MIIQZ

2-[4-(2,3-difluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol;dihydrochloride

Also Known As: 4-(7,8-Difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazineethanol 1-oxide 2HCl|1-Piperazineethanol, 4-(7,8-difluoro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, 1-oxide, dihydrochloride|2-[4-(2,3-difluoro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride|2-[4-(7,8-Difluoro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-1-oxo-1lambda~5~-piperazin-1-yl]ethan-1-ol--hydrogen chloride (1/2)

Molecular Formula	C20H24Cl2F2N2O2S
Molecular Weight	464.09036 g/mol
LogP	4.1793
Topological Polar Surface Area	46.53 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	3
Exact Mass	464.09036
Monoisotopic Mass	464.09036
Heavy Atoms	29
Complexity	851.2261

Chemical Identifiers

CAS Number	60811-16-7
SMILES	C1C[N+](CCN1C2CC3=CC=CC=C3SC4=CC(=C(C=C24)F)F)(CCO)[O-].Cl.Cl