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860785-72-4

860785-72-4 structural image
Product Name: METHYL 4-([7-(TRIFLUOROMETHYL)-2,3,3A,4-TETRAHYDROPYRROLO[1,2-A]QUINOXALIN-5(1H)-YL]SULFONYL)PHENYL ETHER
Formula: C19H19F3N2O3S
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COMPUTED DESCRIPTORS

Molecular Weight 412.4 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 3
Exact Mass 412.10684813 g/mol
Monoisotopic Mass 412.10684813 g/mol
Topological Polar Surface Area 58.2 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 658
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes