ChemSpider 2D Image | N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butanamide | C29H32F3N5O3

N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butanamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID13125950

More details:

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

1-Piperazinebutanamide, N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]-γ-oxo-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
N-[4-Methyl-2-(4-morpholinyl)-6-chinolinyl]-4-oxo-4-{4-[3-(trifluormethyl)phenyl]-1-piperazinyl}butanamid [German] [ACD/IUPAC Name]
N-[4-Méthyl-2-(4-morpholinyl)-6-quinoléinyl]-4-oxo-4-{4-[3-(trifluorométhyl)phényl]-1-pipérazinyl}butanamide [French] [ACD/IUPAC Name]
N-[4-Methyl-2-(4-morpholinyl)-6-quinolinyl]-4-oxo-4-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}butanamide [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: 805.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 441.2±34.3 °C
Index of Refraction: 1.611
Molar Refractivity: 145.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 450.13
ACD/KOC (pH 5.5): 2302.46
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 841.91
ACD/KOC (pH 7.4): 4306.52
Polar Surface Area: 78 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 54.4±3.0 dyne/cm
Molar Volume: 418.4±3.0 cm3

Click to predict properties on the Chemicalize site


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