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Diclazuril

C17H9Cl3N4O2CAS 101831-37-2407.64 g/mol

Open in Covalent MOL file
NClClNNOHNOCl
Aryl halideNitrilePhenol

Properties

Molecular formula
C17H9Cl3N4O2
Molar mass
407.64 g/mol
Exact mass
405.9791 Da
logP
3.95Crippen estimate
Polar surface area
91.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
101831-37-2
SMILES
N#CC(c1ccc(Cl)cc1)c1c(Cl)cc(-n2ncc(O)nc2=O)cc1Cl
InChIKey
ZSZFUDFOPOMEET-UHFFFAOYSA-N
InChI
InChI=1S/C17H9Cl3N4O2/c18-10-3-1-9(2-4-10)12(7-21)16-13(19)5-11(6-14(16)20)24-17(26)23-15(25)8-22-24/h1-6,8,12H,(H,23,25,26)

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Names and synonyms

8 names
  • Benzeneacetonitrile, 2,6-dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-
  • 2,6-Dichloro-α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)benzeneacetonitrile
  • R 64433
  • Clinacox
  • P 64433
  • Vecoxan
  • Nuoqiu
  • 2-(4-Chlorophenyl)-2-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]acetonitrile

Work with Diclazuril

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-2-chloro-α-(4-chlorophenyl)-5-methylbenzeneacetonitrile61437-85-235 % similar Closantel57808-65-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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