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339276-45-8

339276-45-8 structural image
Product Name: 1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-N-[(2-METHYL-3-PHENYLTETRAHYDRO-5-ISOXAZOLYL)METHYL]-4-PIPERIDINECARBOXAMIDE
Formula: C24H26F3N5O6
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COMPUTED DESCRIPTORS

Molecular Weight 537.5 g/mol
XLogP3 4.2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 5
Exact Mass 537.18351805 g/mol
Monoisotopic Mass 537.18351805 g/mol
Topological Polar Surface Area 136 Ų
Heavy Atom Count 38
Formal Charge 0
Complexity 830
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes