956973-42-5
Product Name:
(1aR,2S,5aR,6aR,9aR,9bS)-9-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Formula:
C25H33FN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 428.5 g/mol |
|---|---|
| XLogP3 | 4.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 428.24752108 g/mol |
| Monoisotopic Mass | 428.24752108 g/mol |
| Topological Polar Surface Area | 45.3 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 720 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |