1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[2-(4-nitrophenyl)ethyl]-1-phenyl-


Chemical Name: 1,3,8-Triazaspiro[4.5]decan-4-one,8-[4-(4-fluorophenyl)-4-oxobutyl]-3-[2-(4-nitrophenyl)ethyl]-1-phenyl-
CAS Number: 136247-18-2
Product Number: AG00805O(AGN-PC-0PKVE6)
Synonyms:
MDL No:
Molecular Formula: C31H33FN4O4
Molecular Weight: 544.6165

Identification/Properties


Computed Properties
Molecular Weight:
544.627g/mol
XLogP3:
5.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
7
Rotatable Bond Count:
9
Exact Mass:
544.249g/mol
Monoisotopic Mass:
544.249g/mol
Topological Polar Surface Area:
89.7A^2
Heavy Atom Count:
40
Formal Charge:
0
Complexity:
867
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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