chempirical

Ponazuril

C18H14F3N3O6SCAS 69004-04-2457.38 g/mol

Open in Covalent MOL file
NONOHNOOSOOFFF
Alkyl halideEtherPhenolSulfone

Properties

Molecular formula
C18H14F3N3O6S
Molar mass
457.38 g/mol
Exact mass
457.0555 Da
logP
2.03Crippen estimate
Polar surface area
120.5 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
4

Identifiers

CAS number
69004-04-2
SMILES
Cc1cc(-n2c(=O)nc(O)n(C)c2=O)ccc1Oc1ccc(S(=O)(=O)C(F)(F)F)cc1
InChIKey
VBUNOIXRZNJNAD-UHFFFAOYSA-N
InChI
InChI=1S/C18H14F3N3O6S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)30-12-4-6-13(7-5-12)31(28,29)18(19,20)21/h3-9H,1-2H3,(H,22,25,26)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfonyl]phenoxy]phenyl]-
  • 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)sulfonyl]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • BAY-Vi 9143
  • Toltrazuril sulfone
  • 1-Methyl-3-[3-methyl-4-[4-(trifluoromethylsulfonyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

Work with Ponazuril

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

Toltrazuril69004-03-171 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook