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832734-48-2 | Benzonitrile, 4-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS No: 832734-48-2 Catalog No: AG0056H7 MDL No:
Product Description
Catalog Number:
AG0056H7
Chemical Name:
Benzonitrile, 4-[2-[(1-cyclopentyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS Number:
832734-48-2
Molecular Formula:
C21H24N4O
Molecular Weight:
348.4415
IUPAC Name:
4-[2-(1-cyclopentylpiperidin-4-yl)oxypyrimidin-5-yl]benzonitrile
InChI:
InChI=1S/C21H24N4O/c22-13-16-5-7-17(8-6-16)18-14-23-21(24-15-18)26-20-9-11-25(12-10-20)19-3-1-2-4-19/h5-8,14-15,19-20H,1-4,9-12H2
InChI Key:
QLOYQRHNLOVVHX-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnc(nc1)OC1CCN(CC1)C1CCCC1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.195g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.45g/mol
Monoisotopic Mass:
348.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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