ChemSpider 2D Image | N-{4-(3-Acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide | C27H29ClFN5O2

N-{4-(3-Acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide

  • Molecular FormulaC27H29ClFN5O2
  • Average mass510.003 Da
  • Monoisotopic mass509.199371 Da
  • ChemSpider ID35035473
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

Benzamide, N-[4-[3-(acetylamino)-1-(1-methylethyl)-1H-pyrazol-5-yl]-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl]-2-chloro-6-fluoro-N-methyl- [ACD/Index Name]
N-{4-(3-Acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chlor-6-fluor-N-methylbenzamid [German] [ACD/IUPAC Name]
N-{4-(3-Acetamido-1-isopropyl-1H-pyrazol-5-yl)-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phenyl}-2-chloro-6-fluoro-N-methylbenzamide [ACD/IUPAC Name]
N-{4-(3-Acétamido-1-isopropyl-1H-pyrazol-5-yl)-2-[(1R,5S)-3-azabicyclo[3.1.0]hex-3-yl]phényl}-2-chloro-6-fluoro-N-méthylbenzamide [French] [ACD/IUPAC Name]
N-{4-[3-(Acetylamino)-1-(Propan-2-Yl)-1h-Pyrazol-5-Yl]-2-[(1r,5s)-3-Azabicyclo[3.1.0]hex-3-Yl]phenyl}-2-Chloro-6-Fluoro-N-Methylbenzamide
4Q3

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

Density: 1.4±0.1 g/cm3
Boiling Point: 735.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.4±3.0 kJ/mol
Flash Point: 398.8±32.9 °C
Index of Refraction: 1.668
Molar Refractivity: 137.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.05
ACD/LogD (pH 5.5): 3.65
ACD/BCF (pH 5.5): 351.59
ACD/KOC (pH 5.5): 2305.88
ACD/LogD (pH 7.4): 3.66
ACD/BCF (pH 7.4): 355.03
ACD/KOC (pH 7.4): 2328.46
Polar Surface Area: 70 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 48.6±7.0 dyne/cm
Molar Volume: 369.2±7.0 cm3

Click to predict properties on the Chemicalize site






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