ChemSpider 2D Image | 2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-[2-(4-morpholinyl)ethyl]-5-{[4-(trifluoromethyl)benzoyl]amino}benzamide | C30H31F3N4O3

2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-[2-(4-morpholinyl)ethyl]-5-{[4-(trifluoromethyl)benzoyl]amino}benzamide

  • Molecular FormulaC30H31F3N4O3
  • Average mass552.587 Da
  • Monoisotopic mass552.234802 Da
  • ChemSpider ID908512

More details:

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

2-(3,4-Dihydro-2(1H)-isochinolinyl)-N-[2-(4-morpholinyl)ethyl]-5-{[4-(trifluormethyl)benzoyl]amino}benzamid [German] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinoléinyl)-N-[2-(4-morpholinyl)éthyl]-5-{[4-(trifluorométhyl)benzoyl]amino}benzamide [French] [ACD/IUPAC Name]
2-(3,4-Dihydro-2(1H)-isoquinolinyl)-N-[2-(4-morpholinyl)ethyl]-5-{[4-(trifluoromethyl)benzoyl]amino}benzamide [ACD/IUPAC Name]
Benzamide, 2-(3,4-dihydro-2(1H)-isoquinolinyl)-N-[2-(4-morpholinyl)ethyl]-5-[[4-(trifluoromethyl)benzoyl]amino]- [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: 644.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.8±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 50.80
ACD/KOC (pH 5.5): 290.60
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 512.46
ACD/KOC (pH 7.4): 2931.58
Polar Surface Area: 74 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 425.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement