AC1LBEN4
7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: CBMicro_016604|Oprea1_554062|CCG-5424|BIM-0016422.P001|AG-690/37046237|3-Allyl-7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-quinoline-3-carbonitrile|7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile|3-Allyl-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile|3-Allyl-7,7-dimethyl-2-(methylsulfanyl)-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile #|3-allyl-7,7-dimethyl-2-(methylthio)-5-oxo-4-phenyl-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|7,7-dimethyl-2-(methylsulfanyl)-5-oxo-4-phenyl-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C22H24N2OS |
|---|---|
| Molecular Weight | 364.16095 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.16095 |
| Monoisotopic Mass | 364.16095 |
| Heavy Atoms | 26 |
| Complexity | 718.0 |
Chemical Identifiers
| CAS Number | 328540-22-3 |
|---|---|
| SMILES | CC1(CC2=C(C(C(C(=N2)SC)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C |
| InChIKey | KWFVRILVJCCCJS-UHFFFAOYSA-N |
Product Overview
AC1LBEN4 (CAS 328540-22-3), with molecular formula C22H24N2OS and molecular weight 364.16095 g/mol. IUPAC: 7,7-dimethyl-2-methylsulfanyl-5-oxo-4-phenyl-3-prop-2-enyl-6,8-dihydro-4H-quinoline-3-carbonitrile.
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