AC1NRMF8
2-amino-1-(4-chloro-2-nitrophenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
Also Known As: 2-Amino-1-(4-chloro-2-nitrophenyl)-4-(2,4-dimethyl-5-{[(4-methylphenyl)sulfanyl]methyl}phenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile|2-amino-1-(4-chloro-2-nitrophenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile
| Molecular Formula | C34H33ClN4O3S |
|---|---|
| Molecular Weight | 612.19617 g/mol |
| LogP | 8.40664 |
| Topological Polar Surface Area | 113.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 612.19617 |
| Monoisotopic Mass | 612.19617 |
| Heavy Atoms | 43 |
| Complexity | 1769.2654 |
Chemical Identifiers
| CAS Number | 6162-27-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=CC(=C(C=C2C)C)C3C(=C(N(C4=C3C(=O)CC(C4)(C)C)C5=C(C=C(C=C5)Cl)[N+](=O)[O-])N)C#N |
Product Overview
AC1NRMF8 (CAS 6162-27-2), with molecular formula C34H33ClN4O3S and molecular weight 612.19617 g/mol. IUPAC: 2-amino-1-(4-chloro-2-nitrophenyl)-4-[2,4-dimethyl-5-[(4-methylphenyl)sulfanylmethyl]phenyl]-7,7-dimethyl-5-oxo-6,8-dihydro-4H-quinoline-3-carbonitrile.
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