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87166-81-2 | Hydroxy Flunarizine
CAS No: 87166-81-2 Catalog No: AG004OB1 MDL No:
Product Description
Catalog Number:
AG004OB1
Chemical Name:
Hydroxy Flunarizine
CAS Number:
87166-81-2
Molecular Formula:
C26H26F2N2O
Molecular Weight:
420.4942
IUPAC Name:
4-[(E)-3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]prop-1-enyl]phenol
InChI:
InChI=1S/C26H26F2N2O/c27-23-9-5-21(6-10-23)26(22-7-11-24(28)12-8-22)30-18-16-29(17-19-30)15-1-2-20-3-13-25(31)14-4-20/h1-14,26,31H,15-19H2/b2-1+
InChI Key:
BORXUYRMIOAMIE-OWOJBTEDSA-N
SMILES:
Oc1ccc(cc1)/C=C/CN1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
420.201g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
420.504g/mol
Monoisotopic Mass:
420.201g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
26.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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