ChemSpider 2D Image | [(4S)-4-(4-Chlorophenyl)-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl](2-methyl-3-nitrophenyl)methanone | C26H25ClN2O3

[(4S)-4-(4-Chlorophenyl)-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl](2-methyl-3-nitrophenyl)methanone

  • Molecular FormulaC26H25ClN2O3
  • Average mass448.941 Da
  • Monoisotopic mass448.155365 Da
  • ChemSpider ID24810118

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(4S)-4-(4-Chlorophényl)-2,2,4-triméthyl-3,4-dihydro-1(2H)-quinoléinyl](2-méthyl-3-nitrophényl)méthanone [French] [ACD/IUPAC Name]
[(4S)-4-(4-Chlorophenyl)-2,2,4-trimethyl-3,4-dihydro-1(2H)-quinolinyl](2-methyl-3-nitrophenyl)methanone [ACD/IUPAC Name]
[(4S)-4-(4-Chlorphenyl)-2,2,4-trimethyl-3,4-dihydro-1(2H)-chinolinyl](2-methyl-3-nitrophenyl)methanon [German] [ACD/IUPAC Name]
Methanone, [(4S)-4-(4-chlorophenyl)-3,4-dihydro-2,2,4-trimethyl-1(2H)-quinolinyl](2-methyl-3-nitrophenyl)- [ACD/Index Name]
ZINC13892840

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

Density: 1.2±0.1 g/cm3
Boiling Point: 576.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.3±30.1 °C
Index of Refraction: 1.608
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.97
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77453.23
ACD/KOC (pH 5.5): 109939.78
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77453.23
ACD/KOC (pH 7.4): 109939.78
Polar Surface Area: 66 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 365.4±3.0 cm3

Click to predict properties on the Chemicalize site


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