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832734-60-8 | Benzonitrile, 4-[2-[(1-cyclobutyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS No: 832734-60-8 Catalog No: AG004TB2 MDL No:
Product Description
Catalog Number:
AG004TB2
Chemical Name:
Benzonitrile, 4-[2-[(1-cyclobutyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS Number:
832734-60-8
Molecular Formula:
C20H22N4O
Molecular Weight:
334.4149
IUPAC Name:
4-[2-(1-cyclobutylpiperidin-4-yl)oxypyrimidin-5-yl]benzonitrile
InChI:
InChI=1S/C20H22N4O/c21-12-15-4-6-16(7-5-15)17-13-22-20(23-14-17)25-19-8-10-24(11-9-19)18-2-1-3-18/h4-7,13-14,18-19H,1-3,8-11H2
InChI Key:
KYZXRMHLWVJKJU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cnc(nc1)OC1CCN(CC1)C1CCC1
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.423g/mol
Monoisotopic Mass:
334.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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