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Home > Pyridines > 647854-38-4
647854-38-4 | Piperazine, 1-(9-anthracenylcarbonyl)-4-(3-cyano-2-pyridinyl)-
CAS No: 647854-38-4 Catalog No: AG00H6HG MDL No:
Product Description
Catalog Number:
AG00H6HG
Chemical Name:
Piperazine, 1-(9-anthracenylcarbonyl)-4-(3-cyano-2-pyridinyl)-
CAS Number:
647854-38-4
Molecular Formula:
C25H20N4O
Molecular Weight:
392.4525
IUPAC Name:
2-[4-(anthracene-9-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
InChI:
InChI=1S/C25H20N4O/c26-17-20-8-5-11-27-24(20)28-12-14-29(15-13-28)25(30)23-21-9-3-1-6-18(21)16-19-7-2-4-10-22(19)23/h1-11,16H,12-15H2
InChI Key:
DGPGQFAESIHIOG-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1N1CCN(CC1)C(=O)c1c2ccccc2cc2c1cccc2
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.164g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.462g/mol
Monoisotopic Mass:
392.164g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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