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321430-39-1

321430-39-1 structural image
Product Name: METHYL 6-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-2-([(DIMETHYLAMINO)METHYLENE]AMINO)-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBOXYLATE
Formula: C18H18ClF3N4O2S
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COMPUTED DESCRIPTORS

Molecular Weight 446.9 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 446.0791092 g/mol
Monoisotopic Mass 446.0791092 g/mol
Topological Polar Surface Area 86.3 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 624
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes