AC1O6ZNR structure

AC1O6ZNR

(5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one

Also Known As: (5Z)-5-{[3-(4-isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one|5-((3-(4-Isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-(4-methoxyphenyl)thiazolo[3,2-b][1,2,4]triazol-6(5H)-one|(5Z)-2-(4-methoxyphenyl)-5-({3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}methylidene)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one|(5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one|(5Z)-5-((3-(4-Isobutoxyphenyl)-1-phenyl-1H-pyrazol-4-YL)methylene)-2-(4-methoxyphenyl)(1,3)thiazolo(3,2-B)(1,2,4)triazol-6(5H)-one|647-064-1

CAS: 623935-06-8
Molecular Formula C31H27N5O3S
Molecular Weight 549.1835 g/mol
LogP 5.2618
Topological Polar Surface Area 83.54 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 8
Exact Mass 549.1835
Monoisotopic Mass 549.1835
Heavy Atoms 40
Complexity 1872.1317

Chemical Identifiers

CAS Number 623935-06-8
SMILES CC(C)COC1=CC=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OC)S3)C6=CC=CC=C6

Product Overview

AC1O6ZNR (CAS 623935-06-8), with molecular formula C31H27N5O3S and molecular weight 549.1835 g/mol. IUPAC: (5Z)-2-(4-methoxyphenyl)-5-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-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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