Oprea1_023552
ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate
Also Known As: Oprea1_023552|Oprea1_530278|BAS 02876388|ethyl 5-cyano-6-((2-(4-methoxyphenyl)-2-oxoethyl)thio)-4-methyl-2-phenylnicotinate|ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethylthio]-4-methyl-2-phenylpyridine -3-carboxylate|ethyl 5-cyano-6-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-4-methyl-2-phenylpyridine-3-carboxylate
| Molecular Formula | C25H22N2O4S |
|---|---|
| Molecular Weight | 446.13004 g/mol |
| LogP | 5.089 |
| Topological Polar Surface Area | 89.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.13004 |
| Monoisotopic Mass | 446.13004 |
| Heavy Atoms | 32 |
| Complexity | 1169.2866 |
Chemical Identifiers
| CAS Number | 289686-03-9 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C)C#N)SCC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3 |
Product Overview
Oprea1_023552 (CAS 289686-03-9), with molecular formula C25H22N2O4S and molecular weight 446.13004 g/mol. IUPAC: ethyl 5-cyano-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-4-methyl-2-phenylpyridine-3-carboxylate.
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