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Flunarizine Impurity 37

CAT: 1299-RM-F121437-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-F121437-01Size:10 mg
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CAS Number
2956721-15-4
Synonyms
4- (bis (4-fluorophenyl) methyl) -1-cinnamylpiperazin-2-one
Molecular Formula
C26H24F2N2O
Molecular Weight
418.49
Target Alternative Name
Flunarizine

Chemical Information

(E)-4-(bis(4-fluorophenyl)methyl)-1-cinnamylpiperazin-2-one
CAS Number2956721-15-4
PubChem CID171370396
IUPAC Name4-[bis(4-fluorophenyl)methyl]-1-[(E)-3-phenylprop-2-enyl]piperazin-2-one
Molecular FormulaC26H24F2N2O
Molecular Weight418.5
XLogP5.1
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity568
SMILES
C1CN(C(=O)CN1C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C26H24F2N2O/c27-23-12-8-21(9-13-23)26(22-10-14-24(28)15-11-22)30-18-17-29(25(31)19-30)16-4-7-20-5-2-1-3-6-20/h1-15,26H,16-19H2/b7-4+
InChIKey
KFOGAPTUXOJZLS-QPJJXVBHSA-N
Chemical Structure
2D Structure
2D structure of (E)-4-(bis(4-fluorophenyl)methyl)-1-cinnamylpiperazin-2-one
CAS: 2956721-15-4
CID: 171370396
Formula: C26H24F2N2O
MW: 418.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.5
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass418.18566972
Monoisotopic Mass418.18566972
Topological Polar Surface Area23.6 Ų
Heavy Atom Count31
Formal Charge0
Complexity568
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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