ChemSpider 2D Image | 2,3,4-Trifluoro-N-[3-(1H-indol-3-yl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]benzamide | C32H32F3N3O2

2,3,4-Trifluoro-N-[3-(1H-indol-3-yl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]benzamide

  • Molecular FormulaC32H32F3N3O2
  • Average mass547.611 Da
  • Monoisotopic mass547.244690 Da
  • ChemSpider ID122287966

More details:

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

2,3,4-Trifluor-N-[3-(1H-indol-3-yl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isochinolinyl)-1-oxo-2-propanyl]benzamid [German] [ACD/IUPAC Name]
2,3,4-Trifluoro-N-[3-(1H-indol-3-yl)-1-(1-isobutyl-6-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)-1-oxo-2-propanyl]benzamide [French] [ACD/IUPAC Name]
2,3,4-Trifluoro-N-[3-(1H-indol-3-yl)-1-(1-isobutyl-6-methyl-3,4-dihydro-2(1H)-isoquinolinyl)-1-oxo-2-propanyl]benzamide [ACD/IUPAC Name]
Benzamide, N-[2-[3,4-dihydro-6-methyl-1-(2-methylpropyl)-2(1H)-isoquinolinyl]-1-(1H-indol-3-ylmethyl)-2-oxoethyl]-2,3,4-trifluoro- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.3±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 149.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.39
ACD/LogD (pH 5.5): 6.28
ACD/BCF (pH 5.5): 35060.41
ACD/KOC (pH 5.5): 62339.47
ACD/LogD (pH 7.4): 6.28
ACD/BCF (pH 7.4): 35053.40
ACD/KOC (pH 7.4): 62327.01
Polar Surface Area: 65 Å2
Polarizability: 59.1±0.5 10-24cm3
Surface Tension: 49.0±3.0 dyne/cm
Molar Volume: 433.2±3.0 cm3

Click to predict properties on the Chemicalize site


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