ChemSpider 2D Image | 3-{[4-(3,4-Difluorobenzoyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one | C21H16F2N2O4

3-{[4-(3,4-Difluorobenzoyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one

  • Molecular FormulaC21H16F2N2O4
  • Average mass398.359 Da
  • Monoisotopic mass398.107819 Da
  • ChemSpider ID22808349

More details:

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

2H-1-Benzopyran-2-one, 3-[[4-(3,4-difluorobenzoyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
3-{[4-(3,4-Difluorbenzoyl)-1-piperazinyl]carbonyl}-2H-chromen-2-on [German] [ACD/IUPAC Name]
3-{[4-(3,4-Difluorobenzoyl)-1-piperazinyl]carbonyl}-2H-chromen-2-one [ACD/IUPAC Name]
3-{[4-(3,4-Difluorobenzoyl)-1-pipérazinyl]carbonyl}-2H-chromén-2-one [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.7±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 97.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 9.93
ACD/KOC (pH 5.5): 180.01
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.93
ACD/KOC (pH 7.4): 180.01
Polar Surface Area: 67 Å2
Polarizability: 38.7±0.5 10-24cm3
Surface Tension: 58.5±3.0 dyne/cm
Molar Volume: 276.4±3.0 cm3

Click to predict properties on the Chemicalize site


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