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896595-73-6

896595-73-6 structural image
Product Name: N-[(3Z)-3-[1-cyano-2-(3-methoxypropylamino)-2-oxoethylidene]isoindol-1-yl]thiophene-2-carboxamide
Formula: C20H18N4O3S
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COMPUTED DESCRIPTORS

Molecular Weight 394.4 g/mol
XLogP3 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 6
Rotatable Bond Count 7
Exact Mass 394.10996162 g/mol
Monoisotopic Mass 394.10996162 g/mol
Topological Polar Surface Area 132 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 724
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes