MLS000331700 structure

MLS000331700

N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide

Also Known As: (Z)-N-(3-((2-(1H-benzo[d]imidazol-2-yl)ethyl)amino)-1-(benzo[d][1,3]dioxol-5-yl)-3-oxoprop-1-en-2-yl)-2-methoxybenzamide|N-[(1Z)-3-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide|N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide|N-{(Z)-2-Benzo[1,3]dioxol-5-yl-1-[2-(1H-benzoimidazol-2-yl)-ethylcarbamoyl]-vinyl}-2-methoxy-benzamide

CAS: 1164510-77-3
Molecular Formula C27H24N4O5
Molecular Weight 484.17468 g/mol
LogP 3.43
Topological Polar Surface Area 114.57 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 8
Exact Mass 484.17468
Monoisotopic Mass 484.17468
Heavy Atoms 36
Complexity 1426.5886

Chemical Identifiers

CAS Number 1164510-77-3
SMILES COC1=CC=CC=C1C(=O)N/C(=C\C2=CC3=C(C=C2)OCO3)/C(=O)NCCC4=NC5=CC=CC=C5N4

Product Overview

MLS000331700 (CAS 1164510-77-3), with molecular formula C27H24N4O5 and molecular weight 484.17468 g/mol. IUPAC: N-[(Z)-3-[2-(1H-benzimidazol-2-yl)ethylamino]-1-(1,3-benzodioxol-5-yl)-3-oxoprop-1-en-2-yl]-2-methoxybenzamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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