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861645-22-9

861645-22-9 structural image
Product Name: ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
Formula: C26H29F3N4O4
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COMPUTED DESCRIPTORS

Molecular Weight 518.5 g/mol
XLogP3 5.2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 9
Exact Mass 518.21408991 g/mol
Monoisotopic Mass 518.21408991 g/mol
Topological Polar Surface Area 86.9 Ų
Heavy Atom Count 37
Formal Charge 0
Complexity 777
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