AC1MSL6Q
2-[(4-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: Oprea1_423394|Oprea1_425019|2-((4-chlorobenzyl)thio)-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-[(4-chlorobenzyl)sulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-[(4-chlorobenzyl)sulfanyl]-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-[(4-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C24H21ClN2O3S |
|---|---|
| Molecular Weight | 452.09613 g/mol |
| LogP | 5.41668 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.09613 |
| Monoisotopic Mass | 452.09613 |
| Heavy Atoms | 31 |
| Complexity | 1132.5037 |
Chemical Identifiers
| CAS Number | 488745-50-2 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2C(=C(NC3=C2C(=O)CCC3)SCC4=CC=C(C=C4)Cl)C#N)O |
Product Overview
AC1MSL6Q (CAS 488745-50-2), with molecular formula C24H21ClN2O3S and molecular weight 452.09613 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-4-(4-hydroxy-3-methoxyphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
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