CYM-5520

Chemical Information
structure in first source
| CAS Number | 1449747-00-5 |
| PubChem CID | 25110470 |
| IUPAC Name | 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-6-oxopyridine-3-carbonitrile |
| Molecular Formula | C21H19N3O2 |
| Molecular Weight | 345.4 |
| XLogP | 2.4 |
| Topological Polar Surface Area | 66.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 666 |
| Property | Value |
|---|---|
| Molecular Weight | 345.4 |
| XLogP3 | 2.4 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 345.147726857 |
| Monoisotopic Mass | 345.147726857 |
| Topological Polar Surface Area | 66.1 Ų |
| Heavy Atom Count | 26 |
| Formal Charge | 0 |
| Complexity | 666 |
| 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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