ChemSpider 2D Image | 2-({6-({[3,5-Bis(trifluoromethyl)phenyl]amino}methyl)-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetamide | C22H21F6N5O3

2-({6-({[3,5-Bis(trifluoromethyl)phenyl]amino}methyl)-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetamide

  • Molecular FormulaC22H21F6N5O3
  • Average mass517.424 Da
  • Monoisotopic mass517.154846 Da
  • ChemSpider ID124138783

More details:

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

2-({6-({[3,5-Bis(trifluormethyl)phenyl]amino}methyl)-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetamid [German] [ACD/IUPAC Name]
2-({6-({[3,5-Bis(trifluoromethyl)phenyl]amino}methyl)-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acetamide [ACD/IUPAC Name]
2-({6-({[3,5-Bis(trifluorométhyl)phényl]amino}méthyl)-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-1,4-dihydro-3-pyridinyl}oxy)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[6-[[[3,5-bis(trifluoromethyl)phenyl]amino]methyl]-1,4-dihydro-1-[3-(1H-imidazol-1-yl)propyl]-4-oxo-3-pyridinyl]oxy]- [ACD/Index 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: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.1±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 115.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 4.60
ACD/KOC (pH 5.5): 41.65
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 86.22
ACD/KOC (pH 7.4): 780.86
Polar Surface Area: 102 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 357.7±7.0 cm3

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