chempirical

Febantel

C20H22N4O6SCAS 58306-30-2446.48 g/mol

Open in Covalent MOL file
OOHNSNNHOOHNOO
EtherImineSulfide

Properties

Molecular formula
C20H22N4O6S
Molar mass
446.48 g/mol
Exact mass
446.1260 Da
Melting point
129.5 °C
logP
4.18Crippen estimate
Polar surface area
137.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
6

Identifiers

CAS number
58306-30-2
SMILES
COCC(O)=Nc1cc(Sc2ccccc2)ccc1N=C(N=C(O)OC)N=C(O)OC
InChIKey
HMCCXLBXIJMERM-UHFFFAOYSA-N
InChI
InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)

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Names and synonyms

4 names
  • Carbamic acid, N,N′-[[2-[(2-methoxyacetyl)amino]-4-(phenylthio)phenyl]carbonimidoyl]bis-, C,C′-dimethyl ester
  • Carbamic acid, [[2-[(methoxyacetyl)amino]-4-(phenylthio)phenyl]carbonimidoyl]bis-, dimethyl ester
  • Rintal
  • N-([[2-(2-Methoxyacetamido)-4-(phenylsulfanyl)phenyl]amino][(methoxycarbonyl)imino]methyl)carbamate

Work with Febantel

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

Fenbendazole43210-67-947 % similar Thiophanate-methyl23564-05-838 % similar Oxfendazole53716-50-031 % similar Albendazole54965-21-831 % similar 2H-1,4-Benzoxazin-3(4H)-one5466-88-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook