1422068-32-3
Product Name:
Rel-(3As,7R,8As)-2-(Pyridin-4-Ylmethyl)Octahydro-3A,7-Epoxyisothiazolo[4,5-C]Azepine 1,1-Dioxide
Formula:
C13H17N3O3S
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COMPUTED DESCRIPTORS
| Molecular Weight | 295.36 g/mol |
|---|---|
| XLogP3 | -0.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 295.09906259 g/mol |
| Monoisotopic Mass | 295.09906259 g/mol |
| Topological Polar Surface Area | 79.9 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 486 |
| 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 |