ChemSpider 2D Image | Methyl 4-({[4-(2,3,4-trifluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)butanoate | C18H19F3N4O3

Methyl 4-({[4-(2,3,4-trifluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)butanoate

  • Molecular FormulaC18H19F3N4O3
  • Average mass396.364 Da
  • Monoisotopic mass396.140930 Da
  • ChemSpider ID23494105

More details:

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

4-({[4-(2,3,4-Trifluorophényl)-1,4,6,7-tétrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[1,4,6,7-tetrahydro-4-(2,3,4-trifluorophenyl)-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 4-({[4-(2,3,4-trifluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)butanoate [ACD/IUPAC Name]
Methyl-4-({[4-(2,3,4-trifluorphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
1144433-14-6 [RN]
4-{[4-(2,3,4-Trifluoro-phenyl)-1,4,6,7-tetrahydro-imidazo[4,5-c]pyridine-5-carbonyl]-amino}-butyric acid methyl ester
Benzoic acid, 4-(aminomethyl)- (9CI) [ACD/Index Name]
methyl 4-[[4-(2,3,4-trifluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]butanoate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 555.0±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.6±3.0 kJ/mol
    Flash Point: 289.5±30.1 °C
    Index of Refraction: 1.559
    Molar Refractivity: 92.1±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.26
    ACD/LogD (pH 5.5): 1.28
    ACD/BCF (pH 5.5): 3.59
    ACD/KOC (pH 5.5): 51.92
    ACD/LogD (pH 7.4): 2.04
    ACD/BCF (pH 7.4): 20.62
    ACD/KOC (pH 7.4): 298.26
    Polar Surface Area: 87 Å2
    Polarizability: 36.5±0.5 10-24cm3
    Surface Tension: 52.8±3.0 dyne/cm
    Molar Volume: 285.3±3.0 cm3

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