ChemSpider 2D Image | N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolinyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}acetamide | C29H26F3N5O3

N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolinyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}acetamide

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID26626968

More details:

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

2-(4-Chinolinyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[5-(trifluormethyl)-2-pyridinyl]-1-piperazinyl}acetamid [German] [ACD/IUPAC Name]
4-Quinolineacetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-α-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]- [ACD/Index Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-quinoléinyl)-2-{4-[5-(trifluorométhyl)-2-pyridinyl]-1-pipérazinyl}acétamide [French] [ACD/IUPAC Name]
N-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-(4-quinolinyl)-2-{4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl}acetamide [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 737.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 399.5±32.9 °C
Index of Refraction: 1.648
Molar Refractivity: 142.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 269.44
ACD/KOC (pH 5.5): 1331.50
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 934.07
ACD/KOC (pH 7.4): 4615.94
Polar Surface Area: 80 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 60.1±3.0 dyne/cm
Molar Volume: 392.3±3.0 cm3

Click to predict properties on the Chemicalize site


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