AC1O0K8Y structure

AC1O0K8Y

(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one

Also Known As: (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one|(2E)-6-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-(4-methoxybenzylidene)-2H-1,4-benzothiazin-3(4H)-one|(2E)-2-[(4-METHOXYPHENYL)METHYLIDENE]-6-(1,2,3,4-TETRAHYDROISOQUINOLINE-2-CARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOTHIAZIN-3-ONE|(2E)-6-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one|(2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-p-anisylidene-4H-1,4-benzothiazin-3-one|(2E)-6-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one|(E)-2-(4-Methoxybenzylidene)-6-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-2H-benzo[b][1,4]thiazin-3(4H)-one

CAS: 1164541-02-9
Molecular Formula C26H22N2O3S
Molecular Weight 442.1351 g/mol
LogP 4.979
Topological Polar Surface Area 58.64 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 3
Exact Mass 442.1351
Monoisotopic Mass 442.1351
Heavy Atoms 32
Complexity 1234.0743

Chemical Identifiers

CAS Number 1164541-02-9
SMILES COC1=CC=C(C=C1)/C=C/2\C(=O)NC3=C(S2)C=CC(=C3)C(=O)N4CCC5=CC=CC=C5C4

Product Overview

AC1O0K8Y (CAS 1164541-02-9), with molecular formula C26H22N2O3S and molecular weight 442.1351 g/mol. IUPAC: (2E)-6-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-[(4-methoxyphenyl)methylidene]-4H-1,4-benzothiazin-3-one.

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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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