ChemSpider 2D Image | N-Ethyl-N-(2-{[3-methyl-1-(2-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-bis(trifluoromethyl)benzamide | C30H26F6N4O2

N-Ethyl-N-(2-{[3-methyl-1-(2-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-bis(trifluoromethyl)benzamide

  • Molecular FormulaC30H26F6N4O2
  • Average mass588.544 Da
  • Monoisotopic mass588.195984 Da
  • ChemSpider ID3212332

More details:

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

Benzamide, N-ethyl-N-[2-[[3-methyl-1-(2-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)- [ACD/Index Name]
N-Ethyl-N-(2-{[3-methyl-1-(2-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-bis(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-Ethyl-N-(2-{[3-methyl-1-(2-methylphenyl)-4-phenyl-1H-pyrazol-5-yl]amino}-2-oxoethyl)-3,5-bis(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-Éthyl-N-(2-{[3-méthyl-1-(2-méthylphényl)-4-phényl-1H-pyrazol-5-yl]amino}-2-oxoéthyl)-3,5-bis(trifluorométhyl)benzamide [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: 648.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.6±3.0 kJ/mol
Flash Point: 345.9±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 146.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.99
ACD/LogD (pH 5.5): 6.35
ACD/BCF (pH 5.5): 39686.63
ACD/KOC (pH 5.5): 68121.90
ACD/LogD (pH 7.4): 6.35
ACD/BCF (pH 7.4): 39688.38
ACD/KOC (pH 7.4): 68124.89
Polar Surface Area: 67 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 451.6±7.0 cm3

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