311765-27-2
Product Name:
2-amino-4-(5-bromo-2-thienyl)-7,7-dimethyl-5-oxo-1-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C23H19BrF3N3OS
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COMPUTED DESCRIPTORS
Molecular Weight | 522.4 g/mol |
---|---|
XLogP3 | 6.2 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 2 |
Exact Mass | 521.03843 g/mol |
Monoisotopic Mass | 521.03843 g/mol |
Topological Polar Surface Area | 98.4 Ų |
Heavy Atom Count | 32 |
Formal Charge | 0 |
Complexity | 919 |
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 |