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338395-80-5

338395-80-5 structural image
Product Name: METHYL 4-[(4-METHYLPHENYL)SULFANYL]-6-OXO-1-[3-(TRIFLUOROMETHYL)PHENYL]-1,6-DIHYDRO-3-PYRIDAZINECARBOXYLATE
Formula: C20H15F3N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 420.4 g/mol
XLogP3 4.8
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 5
Exact Mass 420.07554800 g/mol
Monoisotopic Mass 420.07554800 g/mol
Topological Polar Surface Area 84.3 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 700
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