1217817-81-6
Product Name:
BUTYL 6,8-DIFLUORO-4-((4AR,8AS)-OCTAHYDROISOQUINOLIN-2(1H)-YL)QUINOLINE-2-CARBOXYLATE
Formula:
C23H28F2N2O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 402.5 g/mol |
|---|---|
| XLogP3 | 6.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 402.21188446 g/mol |
| Monoisotopic Mass | 402.21188446 g/mol |
| Topological Polar Surface Area | 42.4 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 563 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |