7-[4-[4-(2-bromophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one


Chemical Name: 7-[4-[4-(2-bromophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CAS Number: 203395-84-0
Product Number: AG0028V4(AGN-PC-0NAM3C)
Synonyms:
MDL No:
Molecular Formula: C23H28BrN3O2
Molecular Weight: 458.3913

Identification/Properties


Computed Properties
Molecular Weight:
458.4g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
7
Exact Mass:
457.136g/mol
Monoisotopic Mass:
457.136g/mol
Topological Polar Surface Area:
44.8A^2
Heavy Atom Count:
29
Formal Charge:
0
Complexity:
526
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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