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339101-57-4

339101-57-4 structural image
Product Name: METHYL 3-((4-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]PIPERAZINO)CARBONYL)ISONICOTINATE
Formula: C18H16ClF3N4O3
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COMPUTED DESCRIPTORS

Molecular Weight 428.8 g/mol
XLogP3 2.5
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 4
Exact Mass 428.0863026 g/mol
Monoisotopic Mass 428.0863026 g/mol
Topological Polar Surface Area 75.6 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 601
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