AC1N3G4E structure

AC1N3G4E

N-(4-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Also Known As: Oprea1_359448|F0574-0139|N-(4-chlorophenyl)-6,7-dimethoxy-1-((2-methoxyphenoxy)methyl)-3,4-dihydroisoquinoline-2(1H)-carbothioamide|N-(4-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide|N-(4-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide

CAS: 536699-35-1
Molecular Formula C26H27ClN2O4S
Molecular Weight 498.138 g/mol
LogP 5.741
Topological Polar Surface Area 52.19 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 7
Exact Mass 498.138
Monoisotopic Mass 498.138
Heavy Atoms 34
Complexity 1156.0376

Chemical Identifiers

CAS Number 536699-35-1
SMILES COC1=CC=CC=C1OCC2C3=CC(=C(C=C3CCN2C(=S)NC4=CC=C(C=C4)Cl)OC)OC

Product Overview

AC1N3G4E (CAS 536699-35-1), with molecular formula C26H27ClN2O4S and molecular weight 498.138 g/mol. IUPAC: N-(4-chlorophenyl)-6,7-dimethoxy-1-[(2-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinoline-2-carbothioamide.

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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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