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1005039-85-9

1005039-85-9 structural image
Product Name: 5-[2-(3-CHLOROPHENOXY)PHENYL]-2-(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINYL)-4-(1H-1,2,4-TRIAZOL-1-YL)-1,3-CYCLOHEXANEDIONE
Formula: C29H25ClN4O3
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COMPUTED DESCRIPTORS

Molecular Weight 513.0 g/mol
XLogP3 4.7
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 5
Exact Mass 512.1615184 g/mol
Monoisotopic Mass 512.1615184 g/mol
Topological Polar Surface Area 86.1 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 829
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 4
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes