AC1MGSTW
N-benzyl-2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide
Also Known As: N-benzyl-2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide|N-benzyl-2-((4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetamide|N-benzyl-2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-hydroxy-4,5-dihydropyridin-2-yl]sulfanyl}acetamide|N-benzyl-2-{[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-cyano-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H20BrN3O4S |
|---|---|
| Molecular Weight | 501.0358 g/mol |
| LogP | 3.55158 |
| Topological Polar Surface Area | 111.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 501.0358 |
| Monoisotopic Mass | 501.0358 |
| Heavy Atoms | 31 |
| Complexity | 1066.416 |
Chemical Identifiers
| CAS Number | 488796-20-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC(=O)NCC3=CC=CC=C3)Br)O |
Product Overview
AC1MGSTW (CAS 488796-20-9), with molecular formula C22H20BrN3O4S and molecular weight 501.0358 g/mol. IUPAC: N-benzyl-2-[[4-(3-bromo-4-hydroxy-5-methoxyphenyl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetamide.
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