RefChem:239373 structure

RefChem:239373

2-hydroxypropane-1,2,3-tricarboxylic acid;2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-1-propan-2-ylbenzo[e]benzimidazole

Also Known As: 1H-Naphth(1,2-d)imidazole, 2-(2-(4-(3-methoxyphenyl)-1-piperazinyl)ethyl)-1-(1-methyethyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)|2-Hydroxypropane-1,2,3-tricarboxylic acid--2-{2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl}-1-(propan-2-yl)-1H-naphtho[1,2-d]imidazole (1/1)|2-hydroxypropane-1,2,3-tricarboxylic acid; 2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-1-propan-2-ylbenzo[e]benzimidazole

CAS: 80429-41-0
Molecular Formula C33H40N4O8
Molecular Weight 620.2846 g/mol
LogP 3.8952
Topological Polar Surface Area 165.66 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 11
Exact Mass 620.2846
Monoisotopic Mass 620.2846
Heavy Atoms 45
Complexity 1643.2906

Chemical Identifiers

CAS Number 80429-41-0
SMILES CC(C)N1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC(=CC=C5)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Product Overview

RefChem:239373 (CAS 80429-41-0), with molecular formula C33H40N4O8 and molecular weight 620.2846 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]-1-propan-2-ylbenzo[e]benzimidazole.

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