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77169-77-8

77169-77-8 structural image
Product Name: 5-Isoquinolinamine, 3-(methoxymethyl)-N-(4,4a,5,10-tetrahydro-1H,3H-(1 ,3)thiazino(3,4-b)isoquinolin-1-ylidene)-, (+-)-
Formula: C23H23N3OS
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COMPUTED DESCRIPTORS

Molecular Weight 389.5 g/mol
XLogP3 4.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 389.15618354 g/mol
Monoisotopic Mass 389.15618354 g/mol
Topological Polar Surface Area 63 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 570
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