AC1LX3AJ structure

AC1LX3AJ

N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Also Known As: AK-968/41024626|N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide|N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-N'-{[2-(3-isopropoxyphenyl)-4-quinolinyl]carbonyl}thiourea|N-(3-CYANO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL)-N'-{[2-(3-ISOPROPOXYPHENYL)-4-QUINOLYL]CARBONYL}THIOUREA|N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-[3-(propan-2-yloxy)phenyl]quinoline-4-carboxamide

CAS: 445237-81-0
Molecular Formula C29H26N4O2S2
Molecular Weight 526.1497 g/mol
LogP 6.62778
Topological Polar Surface Area 87.04 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
Rotatable Bonds 5
Exact Mass 526.1497
Monoisotopic Mass 526.1497
Heavy Atoms 37
Complexity 1551.5406

Chemical Identifiers

CAS Number 445237-81-0
SMILES CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C5=C(S4)CCCC5)C#N

Product Overview

AC1LX3AJ (CAS 445237-81-0), with molecular formula C29H26N4O2S2 and molecular weight 526.1497 g/mol. IUPAC: N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-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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