Found 10 results

Search term: MF = 'C_{31}H_{26}F_{2}N_{4}O_{3}S'
ChemSpider 2D Image | 2-Amino-1-(4-fluoro-2-nitrophenyl)-4-(5-{[(4-fluorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile | C31H26F2N4O3S

2-Amino-1-(4-fluoro-2-nitrophenyl)-4-(5-{[(4-fluorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

  • Molecular FormulaC31H26F2N4O3S
  • Average mass572.625 Da
  • Monoisotopic mass572.169373 Da
  • ChemSpider ID2859668

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2-Amino-1-(4-fluor-2-nitrophenyl)-4-(5-{[(4-fluorphenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarbonitril [German] [ACD/IUPAC Name]
2-Amino-1-(4-fluoro-2-nitrophényl)-4-(5-{[(4-fluorophényl)sulfanyl]méthyl}-2,4-diméthylphényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarbonitrile [French] [ACD/IUPAC Name]
2-Amino-1-(4-fluoro-2-nitrophenyl)-4-(5-{[(4-fluorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile [ACD/IUPAC Name]
3-Quinolinecarbonitrile, 2-amino-1-(4-fluoro-2-nitrophenyl)-4-[5-[[(4-fluorophenyl)thio]methyl]-2,4-dimethylphenyl]-1,4,5,6,7,8-hexahydro-5-oxo- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 787.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 430.2±32.9 °C
Index of Refraction: 1.686
Molar Refractivity: 153.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9898.42
ACD/KOC (pH 5.5): 25161.05
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9968.87
ACD/KOC (pH 7.4): 25340.12
Polar Surface Area: 141 Å2
Polarizability: 60.7±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

Click to predict properties on the Chemicalize site


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