RefChem:1056571 structure

RefChem:1056571

bis((E)-but-2-enedioic acid);1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine

Also Known As: LJ 1152|1,3-Bis(4-(m-trifluoromethylphenyl)piperazino)propan-2-ol difumarate|1-Piperazineethanol, 4-(3-(trifluoromethyl)phenyl)-alpha-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-, (E)-2-butenedioate (1:2) (salt)|(E)-but-2-enedioic acid; 1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine

CAS: 67931-89-9
Molecular Formula C33H38F6N4O9
Molecular Weight 748.2543 g/mol
LogP 4.0661
Topological Polar Surface Area 171.39 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
Rotatable Bonds 11
Exact Mass 748.2543
Monoisotopic Mass 748.2543
Heavy Atoms 52
Complexity 1390.7859

Chemical Identifiers

CAS Number 67931-89-9
SMILES C1N(CCN(C1)C2=CC=CC(=C2)C(F)(F)F)CCOCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1056571 (CAS 67931-89-9), with molecular formula C33H38F6N4O9 and molecular weight 748.2543 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[3-(trifluoromethyl)phenyl]-4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethoxymethyl]piperazine.

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