ChemSpider 2D Image | N-(3-Chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetamide | C27H25Cl2N3O2S

N-(3-Chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetamide

  • Molecular FormulaC27H25Cl2N3O2S
  • Average mass526.477 Da
  • Monoisotopic mass525.104431 Da
  • ChemSpider ID24595865

More details:

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

Acetamide, N-(3-chloro-2-methylphenyl)-2-[[4-(4-chlorophenyl)-3-cyano-1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-2-quinolinyl]thio]- [ACD/Index Name]
N-(3-Chlor-2-methylphenyl)-2-{[4-(4-chlorphenyl)-3-cyan-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-chinolinyl]sulfanyl}acetamid [German] [ACD/IUPAC Name]
N-(3-Chloro-2-méthylphényl)-2-{[4-(4-chlorophényl)-3-cyano-7,7-diméthyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinoléinyl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-(3-Chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-2-quinolinyl]sulfanyl}acetamide [ACD/IUPAC Name]
N-(3-chloro-2-methylphenyl)-2-{[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinolin-2-yl]sulfanyl}acetamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 701.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 140.9±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.19
ACD/LogD (pH 5.5): 6.41
ACD/BCF (pH 5.5): 44180.61
ACD/KOC (pH 5.5): 73559.48
ACD/LogD (pH 7.4): 6.41
ACD/BCF (pH 7.4): 44180.80
ACD/KOC (pH 7.4): 73559.80
Polar Surface Area: 107 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 63.3±5.0 dyne/cm
Molar Volume: 381.2±5.0 cm3

Click to predict properties on the Chemicalize site


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