PF-739

Chemical Information
| CAS Number | 1852452-14-2 |
| PubChem CID | 118640073 |
| IUPAC Name | (3R,3aR,6R,6aR)-6-[[6-chloro-5-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]-1H-benzimidazol-2-yl]oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol |
| Molecular Formula | C23H23ClN2O5 |
| Molecular Weight | 442.9 |
| XLogP | 2.7 |
| Topological Polar Surface Area | 96.8 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 658 |
| Property | Value |
|---|---|
| Molecular Weight | 442.9 |
| XLogP3 | 2.7 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 442.1295495 |
| Monoisotopic Mass | 442.1295495 |
| Topological Polar Surface Area | 96.8 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 658 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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