ChemSpider 2D Image | N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(tetrahydro-3-thiophenyl)ethyl]-4-(trifluoromethyl)benzamide | C23H25F3N2OS

N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(tetrahydro-3-thiophenyl)ethyl]-4-(trifluoromethyl)benzamide

  • Molecular FormulaC23H25F3N2OS
  • Average mass434.518 Da
  • Monoisotopic mass434.163971 Da
  • ChemSpider ID111081559

More details:

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

Benzamide, N-[2-(3,4-dihydro-2(1H)-isoquinolinyl)-2-(tetrahydro-3-thienyl)ethyl]-4-(trifluoromethyl)- [ACD/Index Name]
N-[2-(3,4-Dihydro-2(1H)-isochinolinyl)-2-(tetrahydro-3-thiophenyl)ethyl]-4-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-2-(tétrahydro-3-thiophényl)éthyl]-4-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-[2-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(tetrahydro-3-thiophenyl)ethyl]-4-(trifluoromethyl)benzamide [ACD/IUPAC 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: 578.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.6±3.0 kJ/mol
Flash Point: 303.6±30.1 °C
Index of Refraction: 1.581
Molar Refractivity: 114.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 8.81
ACD/KOC (pH 5.5): 31.68
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 440.71
ACD/KOC (pH 7.4): 1584.99
Polar Surface Area: 58 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 341.9±3.0 cm3

Click to predict properties on the Chemicalize site


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