956239-43-3
Product Name:
(1R,4aS,8aS)-1-(2,4-dimethoxyphenyl)-2-[(4-methylphenyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
Formula:
C25H33NO3
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COMPUTED DESCRIPTORS
| Molecular Weight | 395.5 g/mol |
|---|---|
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 395.24604391 g/mol |
| Monoisotopic Mass | 395.24604391 g/mol |
| Topological Polar Surface Area | 41.9 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 520 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |