2174011-55-1
Product Name:
3-[(3S,4S)-4-methyl-3-[methyl({7H-pyrrolo[2,3-d]pyrimidin-4-yl})amino]piperidin-1-yl]-3-oxopropanenitrile
Formula:
C22H28N6O8
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COMPUTED DESCRIPTORS
| Molecular Weight | 504.5 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 504.19686187 g/mol |
| Monoisotopic Mass | 504.19686187 g/mol |
| Topological Polar Surface Area | 221 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 716 |
| 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 | 2 |
| Compound Is Canonicalized | Yes |