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338422-61-0

338422-61-0 structural image
Product Name: 1-[5-(([3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]AMINO)METHYL)-4,5-DIHYDRO-3-ISOXAZOLYL]-3-(DIMETHYLAMINO)-2-PROPEN-1-ONE
Formula: C15H16ClF3N4O2
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COMPUTED DESCRIPTORS

Molecular Weight 376.76 g/mol
XLogP3 2.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 376.0913879 g/mol
Monoisotopic Mass 376.0913879 g/mol
Topological Polar Surface Area 66.8 Ų
Heavy Atom Count 25
Formal Charge 0
Complexity 539
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes