353469-64-4
Product Name:
4-[4-(allyloxy)phenyl]-2-amino-1-(4-bromophenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Formula:
C27H26BrN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 504.4 g/mol |
|---|---|
| XLogP3 | 5.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 503.12084 g/mol |
| Monoisotopic Mass | 503.12084 g/mol |
| Topological Polar Surface Area | 79.4 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 896 |
| 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 |