ChemSpider 2D Image | N-{2-[2-Methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzoyl}amino)phenoxy]ethyl}nicotinamide | C29H32F3N5O3

N-{2-[2-Methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzoyl}amino)phenoxy]ethyl}nicotinamide

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID76735136

More details:

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

3-Pyridinecarboxamide, N-[2-[2-methyl-5-[[4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzoyl]amino]phenoxy]ethyl]- [ACD/Index Name]
N-{2-[2-Methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluormethyl)benzoyl}amino)phenoxy]ethyl}nicotinamid [German] [ACD/IUPAC Name]
N-{2-[2-Methyl-5-({4-[(4-methyl-1-piperazinyl)methyl]-3-(trifluoromethyl)benzoyl}amino)phenoxy]ethyl}nicotinamide [ACD/IUPAC Name]
N-{2-[2-Méthyl-5-({4-[(4-méthyl-1-pipérazinyl)méthyl]-3-(trifluorométhyl)benzoyl}amino)phénoxy]éthyl}nicotinamide [French] [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: 654.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.8±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 146.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 16.64
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 100.47
ACD/KOC (pH 7.4): 731.01
Polar Surface Area: 87 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 434.0±3.0 cm3

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