ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidinyl]urea | C19H17F6N7O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidinyl]urea

  • Molecular FormulaC19H17F6N7O
  • Average mass473.375 Da
  • Monoisotopic mass473.139862 Da
  • ChemSpider ID115008460

More details:

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

1-[3,5-Bis(trifluormethyl)phenyl]-3-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidinyl]harnstoff [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidinyl]urea [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-pipéridinyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3,5-bis(trifluoromethyl)phenyl]-N'-[1-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-4-piperidinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 540.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 280.8±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 103.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.96
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 82.23
ACD/KOC (pH 5.5): 492.82
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 457.73
ACD/KOC (pH 7.4): 2743.19
Polar Surface Area: 99 Å2
Polarizability: 41.0±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 302.4±5.0 cm3

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