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Home > Quinoline > 823216-40-6
823216-40-6 | Piperazine, 1-(1-oxooctyl)-4-[4-[2-(4-quinolinyl)ethenyl]phenyl]-
CAS No: 823216-40-6 Catalog No: AG004YX7 MDL No:
Product Description
Catalog Number:
AG004YX7
Chemical Name:
Piperazine, 1-(1-oxooctyl)-4-[4-[2-(4-quinolinyl)ethenyl]phenyl]-
CAS Number:
823216-40-6
Molecular Formula:
C29H35N3O
Molecular Weight:
441.6077
IUPAC Name:
1-[4-[4-(2-quinolin-4-ylethenyl)phenyl]piperazin-1-yl]octan-1-one
InChI:
InChI=1S/C29H35N3O/c1-2-3-4-5-6-11-29(33)32-22-20-31(21-23-32)26-16-13-24(14-17-26)12-15-25-18-19-30-28-10-8-7-9-27(25)28/h7-10,12-19H,2-6,11,20-23H2,1H3
InChI Key:
BKDXSEFECWYEKF-UHFFFAOYSA-N
SMILES:
CCCCCCCC(=O)N1CCN(CC1)c1ccc(cc1)C=Cc1ccnc2c1cccc2
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.278g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
441.619g/mol
Monoisotopic Mass:
441.278g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.8
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