ChemSpider 2D Image | 1-(1-Azabicyclo[2.2.1]hept-7-yl)-3-({5-(3,5-dimethylphenyl)-4-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrazol-3-yl}oxy)-2,2-dimethyl-1-propanone | C32H43N5O2

1-(1-Azabicyclo[2.2.1]hept-7-yl)-3-({5-(3,5-dimethylphenyl)-4-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrazol-3-yl}oxy)-2,2-dimethyl-1-propanone

  • Molecular FormulaC32H43N5O2
  • Average mass529.716 Da
  • Monoisotopic mass529.341675 Da
  • ChemSpider ID8635056

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-(1-Azabicyclo[2.2.1]hept-7-yl)-3-({5-(3,5-dimethylphenyl)-4-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrazol-3-yl}oxy)-2,2-dimethyl-1-propanon [German] [ACD/IUPAC Name]
1-(1-Azabicyclo[2.2.1]hept-7-yl)-3-({5-(3,5-dimethylphenyl)-4-[(2S)-1-{[2-(4-pyridinyl)ethyl]amino}-2-propanyl]-1H-pyrazol-3-yl}oxy)-2,2-dimethyl-1-propanone [ACD/IUPAC Name]
1-(1-Azabicyclo[2.2.1]hept-7-yl)-3-({5-(3,5-diméthylphényl)-4-[(2S)-1-{[2-(4-pyridinyl)éthyl]amino}-2-propanyl]-1H-pyrazol-3-yl}oxy)-2,2-diméthyl-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-(1-azabicyclo[2.2.1]hept-7-yl)-3-[[5-(3,5-dimethylphenyl)-4-[(1S)-1-methyl-2-[[2-(4-pyridinyl)ethyl]amino]ethyl]-1H-pyrazol-3-yl]oxy]-2,2-dimethyl- [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: 725.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 392.4±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 154.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.07
ACD/LogD (pH 5.5): -0.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 1.48
ACD/KOC (pH 7.4): 7.54
Polar Surface Area: 83 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 446.5±5.0 cm3

Click to predict properties on the Chemicalize site


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