chempirical

Flunarizine

C26H26F2N2CAS 52468-60-7404.50 g/mol

Open in Covalent MOL file
FFNN
AlkeneAryl halideTertiary amine

Properties

Molecular formula
C26H26F2N2
Molar mass
404.50 g/mol
Exact mass
404.2064 Da
logP
5.39Crippen estimate
Polar surface area
6.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
6
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
52468-60-7
SMILES
Fc1ccc(C(c2ccc(F)cc2)N2CCN(C/C=C/c3ccccc3)CC2)cc1
InChIKey
SMANXXCATUTDDT-QPJJXVBHSA-N
InChI
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+

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Names and synonyms

5 names
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]-
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-(3-phenyl-2-propenyl)-, (E)-
  • Piperazine, 1-[bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propenyl]-
  • 1-[Bis(4-fluorophenyl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
  • Sibelium

Work with Flunarizine

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

Flunarizine hydrochloride30484-77-693 % similar Cinnarizine298-57-779 % similar 1-Cinnamylpiperazine18903-01-049 % similar 1-[Bis(4-fluorophenyl)methyl]piperazine27469-60-947 % similar Bucinnazine17719-89-042 % similar Lomerizine101477-55-841 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-539 % similar Lomerizine dihydrochloride101477-54-739 % similar

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

Elsewhere

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