AC1OBUTF structure

AC1OBUTF

1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-4-carboxamide

Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-((3-methylthiophen-2-yl)methylene)-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(E)-(3-methylthiophen-2-yl)methylidene]-5-(4-propoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide|1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-4-carboxamide

CAS: 899388-95-5
Molecular Formula C20H20N8O3S
Molecular Weight 452.1379 g/mol
LogP 2.82212
Topological Polar Surface Area 146.34 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 10
Rotatable Bonds 8
Exact Mass 452.1379
Monoisotopic Mass 452.1379
Heavy Atoms 32
Complexity 1242.021

Chemical Identifiers

CAS Number 899388-95-5
SMILES CCCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=C(C=CS4)C

Product Overview

AC1OBUTF (CAS 899388-95-5), with molecular formula C20H20N8O3S and molecular weight 452.1379 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-methylthiophen-2-yl)methylideneamino]-5-(4-propoxyphenyl)triazole-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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