| CAS Number | 304896-21-7 |
| Catalog Number | AG0030C5(AGN-PC-0WAI1B) |
| Chemical Name | 2-Propenamide, 2-cyano-3-[5-(2,5-dichlorophenyl)-2-furanyl]-N-8-quinolinyl- |
| IUPAC Name | 2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-8-ylprop-2-enamide |
| InChI | InChI=1S/C23H13Cl2N3O2/c24-16-6-8-19(25)18(12-16)21-9-7-17(30-21)11-15(13-26)23(29)28-20-5-1-3-14-4-2-10-27-22(14)20/h1-12H,(H,28,29) |
| InChI Key | WRDKBSLEHFRKGG-UHFFFAOYSA-N |
| MDL Number | MFCD01909444 |
| Molecular Formula | C23H13Cl2N3O2 |
| Molecular Weight | 434.2742 |
| SMILES | O=C(/C(C#N)=C/C1=CC=C(C2=CC(Cl)=CC=C2Cl)O1)NC3=CC=CC4=C3N=CC=C4 |
| Synonyms | 2-cyano-3-[5-(2,5-dichlorophenyl)furan-2-yl]-N-quinolin-8-ylprop-2-enamide,
SIRT2 Inhibitor, Inactive Control, AGK7,
304896-21-7,
AC1LRM6M,
CTK8E9295,
DTXSID00362377,
MCULE-2264029020,
CID1372571,
2-cyano-3-[5-(2,5-dichlorophenyl)-2-furyl]-N-quinolin-8-yl-prop-2-enamide,
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| Complexity | 706 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 433.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 434.276g/mol |
| Monoisotopic Mass | 433.038g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number