339339-73-0
Product Name:
2-amino-4-(4-ethoxyphenyl)-1-(4-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C25H25N3O3
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COMPUTED DESCRIPTORS
Molecular Weight | 415.5 g/mol |
---|---|
XLogP3 | 4 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 5 |
Exact Mass | 415.18959167 g/mol |
Monoisotopic Mass | 415.18959167 g/mol |
Topological Polar Surface Area | 88.6 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 792 |
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 |