339339-29-6
Product Name:
2-amino-4-(4-bromophenyl)-1-(5-bromo-2-pyridinyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C23H20Br2N4O
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 528.2 g/mol |
|---|---|
| XLogP3 | 5.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 527.99834 g/mol |
| Monoisotopic Mass | 526.00039 g/mol |
| Topological Polar Surface Area | 83 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 831 |
| 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 |