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1137476-15-3 | 2-Pyrazinecarbonitrile, 5-[[4-(4-morpholinyl)-5-phenyl-2-pyridinyl]amino]-
CAS No: 1137476-15-3 Catalog No: AG0009JJ MDL No:
Product Description
Catalog Number:
AG0009JJ
Chemical Name:
2-Pyrazinecarbonitrile, 5-[[4-(4-morpholinyl)-5-phenyl-2-pyridinyl]amino]-
CAS Number:
1137476-15-3
Molecular Formula:
C20H18N6O
Molecular Weight:
358.3965
IUPAC Name:
5-[(4-morpholin-4-yl-5-phenylpyridin-2-yl)amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C20H18N6O/c21-11-16-12-23-20(14-22-16)25-19-10-18(26-6-8-27-9-7-26)17(13-24-19)15-4-2-1-3-5-15/h1-5,10,12-14H,6-9H2,(H,23,24,25)
InChI Key:
QXTORUGYSIVLCY-UHFFFAOYSA-N
SMILES:
N#Cc1cnc(cn1)Nc1ncc(c(c1)N1CCOCC1)c1ccccc1
Properties
Complexity:
510
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.154g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.405g/mol
Monoisotopic Mass:
358.154g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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