80353-26-0
Product Name:
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-bromo-3,3-dimethyl-7-oxo-, diphenylmethyl ester, 4-oxide, (2S,5R,6S)-
Formula:
C21H20BrNO4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 462.4 g/mol |
|---|---|
| XLogP3 | 3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 461.02964 g/mol |
| Monoisotopic Mass | 461.02964 g/mol |
| Topological Polar Surface Area | 82.9 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 639 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |