311330-85-5
Product Name:
2-amino-1-{4-nitrophenyl}-5-oxo-4-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C20H16N4O3S
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COMPUTED DESCRIPTORS
Molecular Weight | 392.4 g/mol |
---|---|
XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 2 |
Exact Mass | 392.09431156 g/mol |
Monoisotopic Mass | 392.09431156 g/mol |
Topological Polar Surface Area | 144 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 798 |
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 |