AC1MHL9A

2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate;dihydrochloride

Also Known As: 3-Pyridinecarboxylic acid, 2-((3-((trifluoromethyl)thio)phenyl)amino)-, 2-(4-(3-chlorophenyl)-1-piperazinyl)ethyl ester, dihydrochloride|2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl 2-[3-(trifluoromethylsulfanyl)anilino]pyridine-3-carboxylate dihydrochloride|2-[4-(3-Chlorophenyl)piperazin-1-yl]ethyl 2-{3-[(trifluoromethyl)sulfanyl]anilino}pyridine-3-carboxylate--hydrogen chloride (1/2)

Molecular Formula	C25H26Cl3F3N4O2S
Molecular Weight	608.0794 g/mol
LogP	6.9131
Topological Polar Surface Area	57.7 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	8
Exact Mass	608.0794
Monoisotopic Mass	608.0794
Heavy Atoms	38
Complexity	1198.265

Chemical Identifiers

CAS Number	69838-63-7
SMILES	C1CN(CCN1CCOC(=O)C2=C(N=CC=C2)NC3=CC(=CC=C3)SC(F)(F)F)C4=CC(=CC=C4)Cl.Cl.Cl