309281-16-1
Product Name:
2-amino-1-(4-bromo-2-fluorophenyl)-7,7-dimethyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C25H23BrFN3OS
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 512.4 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 511.07292 g/mol |
| Monoisotopic Mass | 511.07292 g/mol |
| Topological Polar Surface Area | 95.4 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 883 |
| 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 |