ChemSpider 2D Image | N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-methyl-1-oxo-2-pentanyl}-4-biphenylcarboxamide | C34H33ClN2O2

N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-methyl-1-oxo-2-pentanyl}-4-biphenylcarboxamide

  • Molecular FormulaC34H33ClN2O2
  • Average mass537.091 Da
  • Monoisotopic mass536.223083 Da
  • ChemSpider ID121982294

More details:

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

[1,1'-Biphenyl]-4-carboxamide, N-[1-[[1-(3-chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl]-3-methylbutyl]- [ACD/Index Name]
N-{1-[1-(3-Chlorophényl)-3,4-dihydro-2(1H)-isoquinoléinyl]-4-méthyl-1-oxo-2-pentanyl}-4-biphénylcarboxamide [French] [ACD/IUPAC Name]
N-{1-[1-(3-Chlorophenyl)-3,4-dihydro-2(1H)-isoquinolinyl]-4-methyl-1-oxo-2-pentanyl}-4-biphenylcarboxamide [ACD/IUPAC Name]
N-{1-[1-(3-Chlorphenyl)-3,4-dihydro-2(1H)-isochinolinyl]-4-methyl-1-oxo-2-pentanyl}-4-biphenylcarboxamid [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: 728.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.4±3.0 kJ/mol
Flash Point: 394.4±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 156.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.96
ACD/LogD (pH 5.5): 7.24
ACD/BCF (pH 5.5): 188324.63
ACD/KOC (pH 5.5): 207660.88
ACD/LogD (pH 7.4): 7.24
ACD/BCF (pH 7.4): 188324.22
ACD/KOC (pH 7.4): 207660.42
Polar Surface Area: 49 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 451.5±3.0 cm3

Click to predict properties on the Chemicalize site


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