1422134-11-9
Product Name:
Rel-(3Ar,8Ar)-2-(3-Chlorobenzyl)Octahydro-2H-Isothiazolo[4,5-D]Azepine 1,1-Dioxide
Formula:
C14H19ClN2O2S
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COMPUTED DESCRIPTORS
| Molecular Weight | 314.8 g/mol |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 314.0855767 g/mol |
| Monoisotopic Mass | 314.0855767 g/mol |
| Topological Polar Surface Area | 57.8 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 437 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |