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325995-03-7

325995-03-7 structural image
Product Name: ETHYL 2-((THIOXO((4-(TRIFLUOROMETHOXY)PHENYL)AMINO)METHYL)AMINO)-4,5,6,7-TETRAHYDROBENZO[B]THIOPHENE-3-CARBOXYLATE
Formula: C19H19F3N2O3S2
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COMPUTED DESCRIPTORS

Molecular Weight 444.5 g/mol
XLogP3 6.3
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 6
Exact Mass 444.07891931 g/mol
Monoisotopic Mass 444.07891931 g/mol
Topological Polar Surface Area 120 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 586
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