AC1NPBGO structure

AC1NPBGO

N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide

Also Known As: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide|N-{[4-(2,4-Dichlorophenyl)-5-{[(2-methylphenyl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-ethylhexanamide

CAS: 5891-37-2
Molecular Formula C25H30Cl2N4OS
Molecular Weight 504.15173 g/mol
LogP 7.00742
Topological Polar Surface Area 59.81 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
Rotatable Bonds 11
Exact Mass 504.15173
Monoisotopic Mass 504.15173
Heavy Atoms 33
Complexity 1086.0189

Chemical Identifiers

CAS Number 5891-37-2
SMILES CCCCC(CC)C(=O)NCC1=NN=C(N1C2=C(C=C(C=C2)Cl)Cl)SCC3=CC=CC=C3C

Product Overview

AC1NPBGO (CAS 5891-37-2), with molecular formula C25H30Cl2N4OS and molecular weight 504.15173 g/mol. IUPAC: N-[[4-(2,4-dichlorophenyl)-5-[(2-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-2-ethylhexanamide.

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