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321998-78-1

321998-78-1 structural image
Product Name: Ethyl 10-(2-([3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino)ethyl)-9,11-dioxo-3-oxa-4,10-diazatetracyclo[5.5.1.0(2,6).0(8,12)]tridec-4-ene-5-carboxylate
Formula: C21H20ClF3N4O5
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COMPUTED DESCRIPTORS

Molecular Weight 500.9 g/mol
XLogP3 2.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 7
Exact Mass 500.1074319 g/mol
Monoisotopic Mass 500.1074319 g/mol
Topological Polar Surface Area 110 Ų
Heavy Atom Count 34
Formal Charge 0
Complexity 917
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 6
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes