AC1MRVSP
2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: IFLab1_004840|Oprea1_185654|Oprea1_353578|IDI1_010595|4-[4-(benzyloxy)phenyl]-2-(methylsulfanyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile|4-(4-(benzyloxy)phenyl)-2-(methylthio)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|4-[4-(benzyloxy)phenyl]-5-hydroxy-2-(methylsulfanyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C24H22N2O2S |
|---|---|
| Molecular Weight | 402.1402 g/mol |
| LogP | 5.05768 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1402 |
| Monoisotopic Mass | 402.1402 |
| Heavy Atoms | 29 |
| Complexity | 1017.09625 |
Chemical Identifiers
| CAS Number | 370855-80-4 |
|---|---|
| SMILES | CSC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N |
Product Overview
AC1MRVSP (CAS 370855-80-4), with molecular formula C24H22N2O2S and molecular weight 402.1402 g/mol. IUPAC: 2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
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