JX-401

Chemical Information
[2-methoxy-4-(methylthio)phenyl]-[4-(phenylmethyl)-1-piperidinyl]methanone is a member of benzamides and a N-acylpiperidine.
| CAS Number | 349087-34-9 |
| PubChem CID | 1126109 |
| IUPAC Name | (4-benzylpiperidin-1-yl)-(2-methoxy-4-methylsulfanylphenyl)methanone |
| Molecular Formula | C21H25NO2S |
| Molecular Weight | 355.5 |
| XLogP | 4.6 |
| Topological Polar Surface Area | 54.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 416 |
| Property | Value |
|---|---|
| Molecular Weight | 355.5 |
| XLogP3 | 4.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 355.16060021 |
| Monoisotopic Mass | 355.16060021 |
| Topological Polar Surface Area | 54.8 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 416 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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