AC1LD5A9
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 11177146|2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile|2-[2-(4-chlorophenyl)-2-oxoethylthio]-4-(2-furyl)-5-oxo-1,4,6,7,8-pentahydroqu inoline-3-carbonitrile|2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-hydroxy-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(furan-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C22H17ClN2O3S |
|---|---|
| Molecular Weight | 424.06485 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 424.06485 |
| Monoisotopic Mass | 424.06485 |
| Heavy Atoms | 29 |
| Complexity | 804.0 |
Chemical Identifiers
| CAS Number | 799787-35-2 |
|---|---|
| SMILES | C1CC2=C(C(C(=C(N2)SCC(=O)C3=CC=C(C=C3)Cl)C#N)C4=CC=CO4)C(=O)C1 |
| InChIKey | CYBXNZQPJPWRHY-UHFFFAOYSA-N |
Product Overview
AC1LD5A9 (CAS 799787-35-2), with molecular formula C22H17ClN2O3S and molecular weight 424.06485 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-(furan-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
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