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Home > Quinoline > 823216-39-3
823216-39-3 | Piperazine, 1-(1-oxodecyl)-4-[4-[2-(4-quinolinyl)ethenyl]phenyl]-
CAS No: 823216-39-3 Catalog No: AG004YX8 MDL No:
Product Description
Catalog Number:
AG004YX8
Chemical Name:
Piperazine, 1-(1-oxodecyl)-4-[4-[2-(4-quinolinyl)ethenyl]phenyl]-
CAS Number:
823216-39-3
Molecular Formula:
C31H39N3O
Molecular Weight:
469.6609
IUPAC Name:
1-[4-[4-(2-quinolin-4-ylethenyl)phenyl]piperazin-1-yl]decan-1-one
InChI:
InChI=1S/C31H39N3O/c1-2-3-4-5-6-7-8-13-31(35)34-24-22-33(23-25-34)28-18-15-26(16-19-28)14-17-27-20-21-32-30-12-10-9-11-29(27)30/h9-12,14-21H,2-8,13,22-25H2,1H3
InChI Key:
DUHXAUPFJVAJRR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)N1CCN(CC1)c1ccc(cc1)C=Cc1ccnc2c1cccc2
Properties
Complexity:
633
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.309g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
469.673g/mol
Monoisotopic Mass:
469.309g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
7.9
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