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165824-80-6

165824-80-6 structural image
Product Name: 7-ANILINO-5-MORPHOLINO-3-PHENYL-1,4-THIAZEPINE-6-CARBONITRILE
Formula: C22H20N4OS
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COMPUTED DESCRIPTORS

Molecular Weight 388.5 g/mol
XLogP3 3.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 4
Exact Mass 388.13578245 g/mol
Monoisotopic Mass 388.13578245 g/mol
Topological Polar Surface Area 86 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 687
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