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1008229-49-9

1008229-49-9 structural image
Product Name: 5-(2-CHLORO-6-FLUOROBENZYL)-3-(TRIFLUOROMETHYL)-7,8,9,10-TETRAHYDRO-5H-PYRIDO[1,2-A]QUINOXALIN-6(6AH)-ONE
Formula: C20H17ClF4N2O
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COMPUTED DESCRIPTORS

Molecular Weight 412.8 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 2
Exact Mass 412.0965535 g/mol
Monoisotopic Mass 412.0965535 g/mol
Topological Polar Surface Area 23.6 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 589
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes