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832734-66-4 | Benzonitrile, 4-[2-[(1-ethyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS No: 832734-66-4 Catalog No: AG004XHW MDL No:
Product Description
Catalog Number:
AG004XHW
Chemical Name:
Benzonitrile, 4-[2-[(1-ethyl-4-piperidinyl)oxy]-5-pyrimidinyl]-
CAS Number:
832734-66-4
Molecular Formula:
C18H20N4O
Molecular Weight:
308.3776
IUPAC Name:
4-[2-(1-ethylpiperidin-4-yl)oxypyrimidin-5-yl]benzonitrile
InChI:
InChI=1S/C18H20N4O/c1-2-22-9-7-17(8-10-22)23-18-20-12-16(13-21-18)15-5-3-14(11-19)4-6-15/h3-6,12-13,17H,2,7-10H2,1H3
InChI Key:
NZHVJPBBHJIWKI-UHFFFAOYSA-N
SMILES:
CCN1CCC(CC1)Oc1ncc(cn1)c1ccc(cc1)C#N
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.164g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.385g/mol
Monoisotopic Mass:
308.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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