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113548-55-3

113548-55-3 | Urea, N-[1-oxido-2-[(phenylmethyl)amino]-4-pyridinyl]-N'-phenyl-

CAS No: 113548-55-3 Catalog No: AG0008YB MDL No:

Product Description

Catalog Number:
AG0008YB
Chemical Name:
Urea, N-[1-oxido-2-[(phenylmethyl)amino]-4-pyridinyl]-N'-phenyl-
CAS Number:
113548-55-3
Molecular Formula:
C19H18N4O2
Molecular Weight:
334.3718
IUPAC Name:
N-[[2-(benzylamino)pyridin-4-yl]carbamoyl]benzeneamine oxide
InChI:
InChI=1S/C19H18N4O2/c24-19(23(25)17-9-5-2-6-10-17)22-16-11-12-20-18(13-16)21-14-15-7-3-1-4-8-15/h1-13,23H,14H2,(H2,20,21,22,24)
InChI Key:
WQQBOFWBYROERK-UHFFFAOYSA-N
SMILES:
O=C(Nc1cc[n+](c(c1)NCc1ccccc1)[O-])Nc1ccccc1

Properties

Complexity:
408  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.143g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
334.379g/mol
Monoisotopic Mass:
334.143g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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