QTEMMZBBQUNOEV-DHRITJCHSA-N structure

QTEMMZBBQUNOEV-DHRITJCHSA-N

5-chloro-N-[3-[(E)-C-methyl-N-[2-(2-nitrophenoxy)propanoylamino]carbonimidoyl]phenyl]thiophene-2-carboxamide

Also Known As: AK-968/40707922|5-chloro-N-[3-[(E)-C-methyl-N-[2-(2-nitrophenoxy)propanoylamino]carbonimidoyl]phenyl]thiophene-2-carboxamide|5-chloro-N-{3-[N-(2-{2-nitrophenoxy}propanoyl)ethanehydrazonoyl]phenyl}-2-thiophenecarboxamide|5-chloro-N-{3-[(1E)-1-{2-[2-(2-nitrophenoxy)propanoyl]hydrazinylidene}ethyl]phenyl}thiophene-2-carboxamide|N-((1E)-2-{3-[(5-chloro(2-thienyl))carbonylamino]phenyl}-1-azaprop-1-enyl)-2-( 2-nitrophenoxy)propanamide

CAS: 445005-06-1
Molecular Formula C22H19ClN4O5S
Molecular Weight 486.07648 g/mol
LogP 4.8697
Topological Polar Surface Area 122.93 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 486.07648
Monoisotopic Mass 486.07648
Heavy Atoms 33
Complexity 1226.7551

Chemical Identifiers

CAS Number 445005-06-1
SMILES CC(C(=O)N/N=C(\C)/C1=CC(=CC=C1)NC(=O)C2=CC=C(S2)Cl)OC3=CC=CC=C3[N+](=O)[O-]

Product Overview

QTEMMZBBQUNOEV-DHRITJCHSA-N (CAS 445005-06-1), with molecular formula C22H19ClN4O5S and molecular weight 486.07648 g/mol. IUPAC: 5-chloro-N-[3-[(E)-C-methyl-N-[2-(2-nitrophenoxy)propanoylamino]carbonimidoyl]phenyl]thiophene-2-carboxamide.

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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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