chempirical

Toltrazuril

C18H14F3N3O4SCAS 69004-03-1425.38 g/mol

Open in Covalent MOL file
NONOHNOOSFFF
Alkyl halideEtherPhenolSulfide

Properties

Molecular formula
C18H14F3N3O4S
Molar mass
425.38 g/mol
Exact mass
425.0657 Da
logP
3.35Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
69004-03-1
SMILES
Cc1cc(-n2c(=O)nc(O)n(C)c2=O)ccc1Oc1ccc(SC(F)(F)F)cc1
InChIKey
OCINXEZVIIVXFU-UHFFFAOYSA-N
InChI
InChI=1S/C18H14F3N3O4S/c1-10-9-11(24-16(26)22-15(25)23(2)17(24)27)3-8-14(10)28-12-4-6-13(7-5-12)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

6 names
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1-methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-
  • 1-Methyl-3-[3-methyl-4-[4-[(trifluoromethyl)thio]phenoxy]phenyl]-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
  • BAY-Vi 9142
  • Baycox
  • Deltazuril
  • 1-Methyl-3-[3-methyl-4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]-1,3,5-triazinane-2,4,6-trione

Work with Toltrazuril

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

Ponazuril69004-04-271 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook