AC1MJS8H
6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
Also Known As: CBMicro_037288|ChemDiv1_009162|Oprea1_115034|Oprea1_195756|HMS613A10|BAS 02589899|BIM-0037259.P001|2-(benzylthio)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile|F0422-0363|SR-01000484419-1|2-(benzylsulfanyl)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile|6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile|2-(benzylthio)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydronicotinonitrile|4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-2-(phenylmethylthio)-1,4,5-trihydr opyridine-3-carbonitrile
| Molecular Formula | C20H17BrN2O3S |
|---|---|
| Molecular Weight | 444.01434 g/mol |
| LogP | 4.43538 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.01434 |
| Monoisotopic Mass | 444.01434 |
| Heavy Atoms | 27 |
| Complexity | 938.2333 |
Chemical Identifiers
| CAS Number | 375359-57-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C2CC(=O)NC(=C2C#N)SCC3=CC=CC=C3)Br)O |
Product Overview
AC1MJS8H (CAS 375359-57-2), with molecular formula C20H17BrN2O3S and molecular weight 444.01434 g/mol. IUPAC: 6-benzylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
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