ChemSpider 2D Image | (6R)-6-{[2-(1H-Imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide | C19H25F3N4O

(6R)-6-{[2-(1H-Imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide

  • Molecular FormulaC19H25F3N4O
  • Average mass382.423 Da
  • Monoisotopic mass382.198059 Da
  • ChemSpider ID24531964

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(6R)-6-{[2-(1H-Imidazol-4-yl)ethyl]amino}-N-[4-(trifluormethyl)phenyl]heptanamid [German] [ACD/IUPAC Name]
(6R)-6-{[2-(1H-Imidazol-4-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide [ACD/IUPAC Name]
(6R)-6-{[2-(1H-Imidazol-4-yl)éthyl]amino}-N-[4-(trifluorométhyl)phényl]heptanamide [French] [ACD/IUPAC Name]
(6R)-6-{[2-(1H-Imidazol-5-yl)ethyl]amino}-N-[4-(trifluoromethyl)phenyl]heptanamide
Heptanamide, 6-[[2-(1H-imidazol-5-yl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]-, (6R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 589.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.0±3.0 kJ/mol
Flash Point: 310.5±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 98.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.93
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 70 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 313.0±3.0 cm3

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