956952-36-6
Product Name:
(3aR,4aS,8aR,9aR)-3-[[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]methyl]-8a-methyl-5-methylidene-3a,4,4a,6,7,8,9,9a-octahydro-3H-benzo[f][1]benzofuran-2-one
Formula:
C26H34N2O4
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COMPUTED DESCRIPTORS
| Molecular Weight | 438.6 g/mol |
|---|---|
| XLogP3 | 4.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 438.25185757 g/mol |
| Monoisotopic Mass | 438.25185757 g/mol |
| Topological Polar Surface Area | 51.2 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 750 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |