ChemDiv3_003328
2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: ChemDiv3_003328|Oprea1_172851|Oprea1_400238|IDI1_021238|BRD-A13003005-001-01-9|2-(ethylsulfanyl)-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-(ethylthio)-4-(4-isopropylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-(ethylsulfanyl)-5-hydroxy-4-[4-(propan-2-yl)phenyl]-4,6,7,8-tetrahydroquinoline-3-carbonitrile|2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
| Molecular Formula | C21H24N2OS |
|---|---|
| Molecular Weight | 352.16095 g/mol |
| LogP | 4.99218 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.16095 |
| Monoisotopic Mass | 352.16095 |
| Heavy Atoms | 25 |
| Complexity | 781.10925 |
Chemical Identifiers
| CAS Number | 488796-31-2 |
|---|---|
| SMILES | CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)C(C)C)C#N |
Product Overview
ChemDiv3_003328 (CAS 488796-31-2), with molecular formula C21H24N2OS and molecular weight 352.16095 g/mol. IUPAC: 2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
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