AC1NYAKK structure

AC1NYAKK

(6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Also Known As: (E)-6-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-((o-tolyloxy)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

CAS: 850187-55-2
Molecular Formula C26H22FN5O2S
Molecular Weight 487.14783 g/mol
LogP 5.23983
Topological Polar Surface Area 83.04 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 487.14783
Monoisotopic Mass 487.14783
Heavy Atoms 35
Complexity 1470.1202

Chemical Identifiers

CAS Number 850187-55-2
SMILES CC1=CC=CC=C1OCC2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC(=CC=C5)F)C)/C(=O)N=C3S2

Product Overview

AC1NYAKK (CAS 850187-55-2), with molecular formula C26H22FN5O2S and molecular weight 487.14783 g/mol. IUPAC: (6E)-6-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-[(2-methylphenoxy)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.

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