7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione


Chemical Name: 7-nitro-10-octyl-3-phenylpyrimido[4,5-b]quinoline-2,4-dione
CAS Number: 137346-42-0
Product Number: AG009BN8(AGN-PC-074EE1)
Synonyms:
MDL No:
Molecular Formula: C25H26N4O4
Molecular Weight: 446.4983

Identification/Properties


Computed Properties
Molecular Weight:
446.507g/mol
XLogP3:
5.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
446.195g/mol
Monoisotopic Mass:
446.195g/mol
Topological Polar Surface Area:
98.8A^2
Heavy Atom Count:
33
Formal Charge:
0
Complexity:
812
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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