2216753-87-4
Product Name:
1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1R,2R,3S,5R)-rel-
Formula:
C23H28F2N6O4S
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COMPUTED DESCRIPTORS
| Molecular Weight | 522.6 g/mol |
|---|---|
| XLogP3 | 2 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 10 |
| Exact Mass | 522.18608089 g/mol |
| Monoisotopic Mass | 522.18608089 g/mol |
| Topological Polar Surface Area | 164 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 736 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |