AC1NB5F3 structure

AC1NB5F3

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine

Also Known As: KS-00003FLK|9F-926|1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-({5-[(2,4-dichlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)piperazine|1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[(5-{[(2,4-dichlorophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperazine|1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine

CAS: 338979-17-2
Molecular Formula C26H22Cl3F3N6S
Molecular Weight 612.06445 g/mol
LogP 7.2558
Topological Polar Surface Area 50.08 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
Rotatable Bonds 7
Exact Mass 612.06445
Monoisotopic Mass 612.06445
Heavy Atoms 39
Complexity 1442.8763

Chemical Identifiers

CAS Number 338979-17-2
SMILES C1CN(CCN1CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)Cl)Cl)C5=C(C=C(C=N5)C(F)(F)F)Cl

Product Overview

AC1NB5F3 (CAS 338979-17-2), with molecular formula C26H22Cl3F3N6S and molecular weight 612.06445 g/mol. IUPAC: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]piperazine.

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