ChemSpider 2D Image | 1-[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]-3-(1-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)urea | C16H17F2N5O2

1-[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]-3-(1-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)urea

  • Molecular FormulaC16H17F2N5O2
  • Average mass349.335 Da
  • Monoisotopic mass349.135040 Da
  • ChemSpider ID30267554

More details:

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

1-[1-(2,2-Difluorethyl)-1H-pyrazol-4-yl]-3-(1-methyl-2-oxo-1,2,3,4-tetrahydro-6-chinolinyl)harnstoff [German] [ACD/IUPAC Name]
1-[1-(2,2-Difluoroéthyl)-1H-pyrazol-4-yl]-3-(1-méthyl-2-oxo-1,2,3,4-tétrahydro-6-quinoléinyl)urée [French] [ACD/IUPAC Name]
1-[1-(2,2-Difluoroethyl)-1H-pyrazol-4-yl]-3-(1-methyl-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl)urea [ACD/IUPAC Name]
Urea, N-[1-(2,2-difluoroethyl)-1H-pyrazol-4-yl]-N'-(1,2,3,4-tetrahydro-1-methyl-2-oxo-6-quinolinyl)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 505.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.5±3.0 kJ/mol
Flash Point: 259.5±30.1 °C
Index of Refraction: 1.645
Molar Refractivity: 87.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 8.49
ACD/KOC (pH 5.5): 160.87
ACD/LogD (pH 7.4): 1.53
ACD/BCF (pH 7.4): 8.50
ACD/KOC (pH 7.4): 161.02
Polar Surface Area: 79 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 50.5±7.0 dyne/cm
Molar Volume: 239.8±7.0 cm3

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