1422134-65-3
Product Name:
Rel-(3As,7R,8As)-2-Ethyloctahydro-3A,7-Epoxyisothiazolo[4,5-C]Azepine 1,1-Dioxide
Formula:
C9H16N2O3S
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 232.30 g/mol |
|---|---|
| XLogP3 | -1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 232.08816355 g/mol |
| Monoisotopic Mass | 232.08816355 g/mol |
| Topological Polar Surface Area | 67 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 377 |
| 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 |