339335-27-2
Product Name:
2-amino-1-(4-bromophenyl)-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C23H20BrN3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 466.4 g/mol |
---|---|
XLogP3 | 4.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 3 |
Exact Mass | 465.05105 g/mol |
Monoisotopic Mass | 465.05105 g/mol |
Topological Polar Surface Area | 95.4 Ų |
Heavy Atom Count | 29 |
Formal Charge | 0 |
Complexity | 766 |
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 |