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Home > Pyridines > 339102-04-4
339102-04-4 | 2-[4-(diphenylmethyl)piperazin-1-yl]-4-methoxypyridine-3-carbonitrile
CAS No: 339102-04-4 Catalog No: AG00IYXP MDL No:MFCD00975475
Product Description
Catalog Number:
AG00IYXP
Chemical Name:
2-[4-(diphenylmethyl)piperazin-1-yl]-4-methoxypyridine-3-carbonitrile
CAS Number:
339102-04-4
Molecular Formula:
C24H24N4O
Molecular Weight:
384.4736
MDL Number:
MFCD00975475
IUPAC Name:
2-(4-benzhydrylpiperazin-1-yl)-4-methoxypyridine-3-carbonitrile
InChI:
InChI=1S/C24H24N4O/c1-29-22-12-13-26-24(21(22)18-25)28-16-14-27(15-17-28)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-13,23H,14-17H2,1H3
InChI Key:
JAWMHNZZALKGQT-UHFFFAOYSA-N
SMILES:
COc1ccnc(c1C#N)N1CCN(CC1)C(c1ccccc1)c1ccccc1
Properties
Complexity:
522
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
384.195g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.483g/mol
Monoisotopic Mass:
384.195g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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