957000-37-2
Product Name:
(1aR,1bR,4aS,7R,7aS,9aR)-4-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)methyl)-7,9a-dimethyloctahydro-1aH-oxireno[2',3':7,8]naphtho[8a,1-b]furan-3(4H)-one
Formula:
C26H35ClN2O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 459.0 g/mol |
|---|---|
| XLogP3 | 4.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 458.2336207 g/mol |
| Monoisotopic Mass | 458.2336207 g/mol |
| Topological Polar Surface Area | 45.3 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 757 |
| 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 |