ChemSpider 2D Image | N-[3,5-Bis(trifluoromethyl)phenyl]-Nalpha-{[5-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}phenylalaninamide | C30H26F6N4O2

N-[3,5-Bis(trifluoromethyl)phenyl]-Nα-{[5-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}phenylalaninamide

  • Molecular FormulaC30H26F6N4O2
  • Average mass588.544 Da
  • Monoisotopic mass588.195984 Da
  • ChemSpider ID120788891

More details:

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

1H-Pyrazole-3-carboxamide, N-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxo-1-(phenylmethyl)ethyl]-5-(3,4-dimethylphenyl)-1-methyl- [ACD/Index Name]
N-[3,5-Bis(trifluormethyl)phenyl]-Nα-{[5-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}phenylalaninamid [German] [ACD/IUPAC Name]
N-[3,5-Bis(trifluoromethyl)phenyl]-Nα-{[5-(3,4-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl]carbonyl}phenylalaninamide [ACD/IUPAC Name]
N-[3,5-Bis(trifluorométhyl)phényl]-Nα-{[5-(3,4-diméthylphényl)-1-méthyl-1H-pyrazol-3-yl]carbonyl}phénylalaninamide [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: 695.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±31.5 °C
Index of Refraction: 1.565
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 7.06
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 60787.65
ACD/KOC (pH 5.5): 92434.91
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60785.45
ACD/KOC (pH 7.4): 92431.56
Polar Surface Area: 76 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 445.5±7.0 cm3

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