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836631-81-3

836631-81-3 structural image
Product Name: ethyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate
Formula: C26H31FN4O5
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COMPUTED DESCRIPTORS

Molecular Weight 498.5 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 10
Exact Mass 498.22784826 g/mol
Monoisotopic Mass 498.22784826 g/mol
Topological Polar Surface Area 96.1 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 737
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