AC1LUSMJ structure

AC1LUSMJ

2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

Also Known As: (E)-2-((2,6-dichloro-4-((1-(4-fluorophenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)phenoxy)methyl)benzonitrile|2-[(2,6-dichloro-4-{(E)-[1-(4-fluorophenyl)-4-hydroxy-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene]methyl}phenoxy)methyl]benzonitrile|2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile

CAS: 340304-87-2
Molecular Formula C25H14Cl2FN3O4
Molecular Weight 509.03455 g/mol
LogP 5.24958
Topological Polar Surface Area 99.5 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
Rotatable Bonds 5
Exact Mass 509.03455
Monoisotopic Mass 509.03455
Heavy Atoms 35
Complexity 1408.3647

Chemical Identifiers

CAS Number 340304-87-2
SMILES C1=CC=C(C(=C1)COC2=C(C=C(C=C2Cl)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F)Cl)C#N

Product Overview

AC1LUSMJ (CAS 340304-87-2), with molecular formula C25H14Cl2FN3O4 and molecular weight 509.03455 g/mol. IUPAC: 2-[[2,6-dichloro-4-[(E)-[1-(4-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]phenoxy]methyl]benzonitrile.

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