AC1MHLBI

2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate;dihydrochloride

Also Known As: Piperazineethanol, 4-(3-trifluoromethylthio)phenyl-, N-(7-trifluoromethylthio-4-quinolyl)anthranilate, dihydrochloride|2-(4-{3-[(Trifluoromethyl)sulfanyl]phenyl}piperazin-1-yl)ethyl 2-({7-[(trifluoromethyl)sulfanyl]quinolin-4-yl}amino)benzoate--hydrogen chloride (1/2)|2-[4-[3-(trifluoromethylsulfanyl)phenyl]piperazin-1-yl]ethyl 2-[[7-(trifluoromethylsulfanyl)quinolin-4-yl]amino]benzoate dihydrochloride|Benzoic acid, 2-[[7-[(trifluoromethyl)thio]-4-quinolinyl]amino]-, 2-[4-[3-[(trifluoromethyl)thio]phenyl]-1-piperazinyl]ethyl ester, dihydrochloride

Molecular Formula	C30H28Cl2F6N4O2S2
Molecular Weight	724.0935 g/mol
LogP	9.0248
Topological Polar Surface Area	57.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	724.0935
Monoisotopic Mass	724.0935
Heavy Atoms	46
Complexity	1622.6338

Chemical Identifiers

CAS Number	69847-93-4
SMILES	C1CN(CCN1CCOC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)SC(F)(F)F)C5=CC(=CC=C5)SC(F)(F)F.Cl.Cl