ChemSpider 2D Image | 6-[4-(2,6-Difluorobenzoyl)-1-piperazinyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione | C17H18F2N4O3

6-[4-(2,6-Difluorobenzoyl)-1-piperazinyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC17H18F2N4O3
  • Average mass364.347 Da
  • Monoisotopic mass364.134705 Da
  • ChemSpider ID29173953

More details:

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

2,4(1H,3H)-Pyrimidinedione, 6-[4-(2,6-difluorobenzoyl)-1-piperazinyl]-1,3-dimethyl- [ACD/Index Name]
6-[4-(2,6-Difluorbenzoyl)-1-piperazinyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
6-[4-(2,6-Difluorobenzoyl)-1-piperazinyl]-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
6-[4-(2,6-Difluorobenzoyl)-1-pipérazinyl]-1,3-diméthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
1-(2,5-dimethylphenyl)-4-{3-[3-(2-fluorophenyl)isoxazol-4-yl]propanoyl}piperazine

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

Density: 1.4±0.1 g/cm3
Boiling Point: 507.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 260.8±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 88.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): -0.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.59
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 7.4): 1.01
ACD/KOC (pH 7.4): 31.20
Polar Surface Area: 64 Å2
Polarizability: 34.9±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 260.5±3.0 cm3

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