1777721-57-9
Product Name:
Bicyclo[2.2.2]octane-2-carboxylic acid, 3-[(2-chloro-5-fluoro-4-pyrimidinyl)amino]-, ethyl ester, (2S,3S)-
Formula:
C15H19ClFN3O2
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COMPUTED DESCRIPTORS
| Molecular Weight | 327.78 g/mol |
|---|---|
| XLogP3 | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 327.1149827 g/mol |
| Monoisotopic Mass | 327.1149827 g/mol |
| Topological Polar Surface Area | 64.1 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 406 |
| 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 |