AC1MXSK4
2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: Oprea1_003588|Oprea1_714969|2-{[3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide|2-((3-cyano-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)-N-(4-fluorophenyl)acetamide|2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide|2-{[3-cyano-6-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,5-dihydropyridin-2-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
| Molecular Formula | C21H18FN3O4S |
|---|---|
| Molecular Weight | 427.10022 g/mol |
| LogP | 3.25048 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10022 |
| Monoisotopic Mass | 427.10022 |
| Heavy Atoms | 30 |
| Complexity | 1047.2073 |
Chemical Identifiers
| CAS Number | 488709-99-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)F)O |
Product Overview
AC1MXSK4 (CAS 488709-99-5), with molecular formula C21H18FN3O4S and molecular weight 427.10022 g/mol. IUPAC: 2-[[5-cyano-4-(4-hydroxy-3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]-N-(4-fluorophenyl)acetamide.
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