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338395-93-0

338395-93-0 structural image
Product Name: METHYL 6-OXO-4-(2-PYRIDINYLSULFANYL)-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
Formula: C18H12F3N3O3S
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COMPUTED DESCRIPTORS

Molecular Weight 407.4 g/mol
XLogP3 3.7
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 5
Exact Mass 407.05514691 g/mol
Monoisotopic Mass 407.05514691 g/mol
Topological Polar Surface Area 97.2 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 681
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