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1392426-78-6 | 2-Pyrazinecarbonitrile, 6-[(1,3-benzodioxol-5-ylmethyl)cyclohexylamino]-
CAS No: 1392426-78-6 Catalog No: AG001AJR MDL No:
Product Description
Catalog Number:
AG001AJR
Chemical Name:
2-Pyrazinecarbonitrile, 6-[(1,3-benzodioxol-5-ylmethyl)cyclohexylamino]-
CAS Number:
1392426-78-6
Molecular Formula:
C19H20N4O2
Molecular Weight:
336.3877
IUPAC Name:
6-[1,3-benzodioxol-5-ylmethyl(cyclohexyl)amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C19H20N4O2/c20-9-15-10-21-11-19(22-15)23(16-4-2-1-3-5-16)12-14-6-7-17-18(8-14)25-13-24-17/h6-8,10-11,16H,1-5,12-13H2
InChI Key:
CMDCOMQICGLLIP-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(n1)N(C1CCCCC1)Cc1ccc2c(c1)OCO2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.159g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.395g/mol
Monoisotopic Mass:
336.159g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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