ChemSpider 2D Image | N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-(2-methyl-2-propanyl)benzamide | C31H35ClN2O2S

N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-(2-methyl-2-propanyl)benzamide

  • Molecular FormulaC31H35ClN2O2S
  • Average mass535.140 Da
  • Monoisotopic mass534.210754 Da
  • ChemSpider ID122305937

More details:

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

Benzamide, N-[1-[[1-(3-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl]-3-(methylthio)propyl]-4-(1,1-dimethylethyl)- [ACD/Index Name]
N-{1-[1-(3-Chlorophényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-4-(méthylsulfanyl)-1-oxo-2-butanyl}-4-(2-méthyl-2-propanyl)benzamide [French] [ACD/IUPAC Name]
N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-(2-methyl-2-propanyl)benzamide [ACD/IUPAC Name]
N-{1-[1-(3-Chlorphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-4-(methylsulfanyl)-1-oxo-2-butanyl}-4-(2-methyl-2-propanyl)benzamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 717.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 387.7±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 154.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 7.64
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 109869.43
ACD/KOC (pH 5.5): 141201.06
ACD/LogD (pH 7.4): 6.93
ACD/BCF (pH 7.4): 109869.30
ACD/KOC (pH 7.4): 141200.91
Polar Surface Area: 75 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 450.0±3.0 cm3

Click to predict properties on the Chemicalize site


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