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Home > Pyridines > 823216-42-8
823216-42-8 | Piperazine, 1-(1-oxodecyl)-4-[4-[2-(4-pyridinyl)ethenyl]phenyl]-
CAS No: 823216-42-8 Catalog No: AG004YX6 MDL No:
Product Description
Catalog Number:
AG004YX6
Chemical Name:
Piperazine, 1-(1-oxodecyl)-4-[4-[2-(4-pyridinyl)ethenyl]phenyl]-
CAS Number:
823216-42-8
Molecular Formula:
C27H37N3O
Molecular Weight:
419.6022
IUPAC Name:
1-[4-[4-(2-pyridin-4-ylethenyl)phenyl]piperazin-1-yl]decan-1-one
InChI:
InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-27(31)30-22-20-29(21-23-30)26-14-12-24(13-15-26)10-11-25-16-18-28-19-17-25/h10-19H,2-9,20-23H2,1H3
InChI Key:
QDZNMCABTBYMSH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCC(=O)N1CCN(CC1)c1ccc(cc1)C=Cc1ccncc1
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.294g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.613g/mol
Monoisotopic Mass:
419.294g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
36.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.6
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