ChemSpider 2D Image | N-(3-{1-[(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridinyl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide | C29H28F2N4O4

N-(3-{1-[(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridinyl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide

  • Molecular FormulaC29H28F2N4O4
  • Average mass534.554 Da
  • Monoisotopic mass534.207886 Da
  • ChemSpider ID35033875

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Acetamide, N-[3-[1-[(1S)-1-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridinyl)ethyl]-1H-pyrazol-3-yl]phenyl]- [ACD/Index Name]
N-(3-{1-[(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluormethoxy)phenyl]-2-(1-oxido-4-pyridinyl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamid [German] [ACD/IUPAC Name]
N-(3-{1-[(1S)-1-[3-(Cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-2-(1-oxido-4-pyridinyl)ethyl]-1H-pyrazol-3-yl}phenyl)acetamide [ACD/IUPAC Name]
N-(3-{1-[(1s)-1-[3-(Cyclopropylmethoxy)-4-(Difluoromethoxy)phenyl]-2-(1-Oxidopyridin-4-Yl)ethyl]-1h-Pyrazol-3-Yl}phenyl)acetamide
N-(3-{1-[(1S)-1-[3-(Cyclopropylméthoxy)-4-(difluorométhoxy)phényl]-2-(1-oxydo-4-pyridinyl)éthyl]-1H-pyrazol-3-yl}phényl)acétamide [French] [ACD/IUPAC Name]
IHM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 776.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.1±3.0 kJ/mol
Flash Point: 423.6±32.9 °C
Index of Refraction: 1.626
Molar Refractivity: 141.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 2.96
ACD/BCF (pH 5.5): 104.93
ACD/KOC (pH 5.5): 973.12
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 104.94
ACD/KOC (pH 7.4): 973.21
Polar Surface Area: 91 Å2
Polarizability: 56.1±0.5 10-24cm3
Surface Tension: 47.7±7.0 dyne/cm
Molar Volume: 399.6±7.0 cm3

Click to predict properties on the Chemicalize site


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