311318-18-0
Product Name:
2-amino-4-(4-chlorophenyl)-1-{3-nitrophenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C22H17ClN4O3
Inquiry
COMPUTED DESCRIPTORS
Molecular Weight | 420.8 g/mol |
---|---|
XLogP3 | 4.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 2 |
Exact Mass | 420.0989181 g/mol |
Monoisotopic Mass | 420.0989181 g/mol |
Topological Polar Surface Area | 116 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 844 |
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 |