AC1MRKVY
2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
Also Known As: Oprea1_549137|2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide|2-((3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-methoxyphenyl)acetamide|2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide
| Molecular Formula | C23H23N3O5S |
|---|---|
| Molecular Weight | 453.13583 g/mol |
| LogP | 3.51008 |
| Topological Polar Surface Area | 120.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.13583 |
| Monoisotopic Mass | 453.13583 |
| Heavy Atoms | 32 |
| Complexity | 1076.0297 |
Chemical Identifiers
| CAS Number | 684237-96-5 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)OC)O |
Product Overview
AC1MRKVY (CAS 684237-96-5), with molecular formula C23H23N3O5S and molecular weight 453.13583 g/mol. IUPAC: 2-[[5-cyano-4-(3-ethoxy-4-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-methoxyphenyl)acetamide.
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