AC1LD5PR
4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 11177152|4-(furan-2-yl)-5-oxo-2-((2-oxo-2-phenylethyl)thio)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|AB00384803-04|F1362-0120|SR-01000304187-1|4-(furan-2-yl)-5-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile|4-(2-furyl)-5-oxo-2-(phenacylthio)-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|4-(2-furyl)-5-oxo-2-(2-oxo-2-phenylethylthio)-1,4,6,7,8-pentahydroquinoline-3- carbonitrile|4-(furan-2-yl)-5-hydroxy-2-[(2-oxo-2-phenylethyl)sulfanyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C22H18N2O3S |
|---|---|
| Molecular Weight | 390.10382 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.10382 |
| Monoisotopic Mass | 390.10382 |
| Heavy Atoms | 28 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 799809-22-6 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CO4)C(=O)C1 |
| InChIKey | COPLINDSWHYGQH-UHFFFAOYSA-N |
Product Overview
AC1LD5PR (CAS 799809-22-6), with molecular formula C22H18N2O3S and molecular weight 390.10382 g/mol. IUPAC: 4-(furan-2-yl)-5-oxo-2-phenacylsulfanyl-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.