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321998-79-2

321998-79-2 structural image
Product Name: 10-(2-([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)ETHYL)-5-(1-PYRROLIDINYLCARBONYL)-3-OXA-4,10-DIAZATETRACYCLO[5.5.1.0(2,6).0(8,12)]TRIDEC-4-ENE-9,11-DIONE
Formula: C23H23ClF3N5O4
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COMPUTED DESCRIPTORS

Molecular Weight 525.9 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 5
Exact Mass 525.1390664 g/mol
Monoisotopic Mass 525.1390664 g/mol
Topological Polar Surface Area 104 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 989
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