ChemSpider 2D Image | 4-(4-Oxo-3(4H)-quinazolinyl)-N-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzyl}butanamide | C23H20F3N5O2

4-(4-Oxo-3(4H)-quinazolinyl)-N-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzyl}butanamide

  • Molecular FormulaC23H20F3N5O2
  • Average mass455.432 Da
  • Monoisotopic mass455.156921 Da
  • ChemSpider ID30494519

More details:

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

3(4H)-Quinazolinebutanamide, 4-oxo-N-[[4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]phenyl]methyl]- [ACD/Index Name]
4-(4-Oxo-3(4H)-chinazolinyl)-N-{4-[3-(trifluormethyl)-1H-pyrazol-1-yl]benzyl}butanamid [German] [ACD/IUPAC Name]
4-(4-Oxo-3(4H)-quinazolinyl)-N-{4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]benzyl}butanamide [ACD/IUPAC Name]
4-(4-Oxo-3(4H)-quinazolinyl)-N-{4-[3-(trifluorométhyl)-1H-pyrazol-1-yl]benzyl}butanamide [French] [ACD/IUPAC Name]
4-(4-OXOQUINAZOLIN-3-YL)-N-({4-[3-(TRIFLUOROMETHYL)PYRAZOL-1-YL]PHENYL}METHYL)BUTANAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.623
Molar Refractivity: 117.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 61.70
ACD/KOC (pH 5.5): 665.37
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 61.71
ACD/KOC (pH 7.4): 665.49
Polar Surface Area: 80 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 332.8±7.0 cm3

Click to predict properties on the Chemicalize site


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