ChemSpider 2D Image | 2-[4-(6-Acetamido-3-pyridinyl)phenoxy]-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}acetamide | C29H32F3N5O3

2-[4-(6-Acetamido-3-pyridinyl)phenoxy]-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}acetamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID58880514

More details:

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

2-[4-(6-Acetamido-3-pyridinyl)phenoxy]-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluormethyl)phenyl}acetamid [German] [ACD/IUPAC Name]
2-[4-(6-Acetamido-3-pyridinyl)phenoxy]-N-{4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl}acetamide [ACD/IUPAC Name]
2-[4-(6-Acétamido-3-pyridinyl)phénoxy]-N-{4-[(4-éthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)phényl}acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[4-[6-(acetylamino)-3-pyridinyl]phenoxy]-N-[4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)phenyl]- [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: 737.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.6±3.0 kJ/mol
Flash Point: 399.7±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 146.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 1.33
ACD/BCF (pH 5.5): 1.79
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 87.86
ACD/KOC (pH 7.4): 612.74
Polar Surface Area: 87 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 431.0±3.0 cm3

Click to predict properties on the Chemicalize site


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