AC1NYCPN
(E)-3-(5-chloro-2-methylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Also Known As: (2E)-3-[(5-chloro-2-methylphenyl)amino]-2-[4-(2-oxo-2H-chromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile|F1110-0331|(E)-3-((5-chloro-2-methylphenyl)amino)-2-(4-(2-oxo-2H-chromen-3-yl)thiazol-2-yl)acrylonitrile|(E)-3-(5-chloro-2-methylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile|3-[(5-chloro-2-methyl-phenyl)amino]-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
| Molecular Formula | C22H14ClN3O2S |
|---|---|
| Molecular Weight | 419.04953 g/mol |
| LogP | 5.8549 |
| Topological Polar Surface Area | 78.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.04953 |
| Monoisotopic Mass | 419.04953 |
| Heavy Atoms | 29 |
| Complexity | 1348.1741 |
Chemical Identifiers
| CAS Number | 683258-05-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N/C=C(\C#N)/C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O |
Product Overview
AC1NYCPN (CAS 683258-05-1), with molecular formula C22H14ClN3O2S and molecular weight 419.04953 g/mol. IUPAC: (E)-3-(5-chloro-2-methylanilino)-2-[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile.
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