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303151-80-6

303151-80-6 structural image
Product Name: 1-[NITRO(PHENYLSULFONYL)METHYL]-N-[3-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDE
Formula: C24H20F3N3O5S
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COMPUTED DESCRIPTORS

Molecular Weight 519.5 g/mol
XLogP3 4.4
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 8
Rotatable Bond Count 4
Exact Mass 519.10757641 g/mol
Monoisotopic Mass 519.10757641 g/mol
Topological Polar Surface Area 121 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 898
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes