ChemSpider 2D Image | 1-[5-Bromo-2-(3-hydroxy-1-piperidinyl)phenyl]-3-(5-cyano-2-pyrazinyl)urea | C17H17BrN6O2

1-[5-Bromo-2-(3-hydroxy-1-piperidinyl)phenyl]-3-(5-cyano-2-pyrazinyl)urea

  • Molecular FormulaC17H17BrN6O2
  • Average mass417.260 Da
  • Monoisotopic mass416.059631 Da
  • ChemSpider ID24611400
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1-[5-Brom-2-(3-hydroxy-1-piperidinyl)phenyl]-3-(5-cyan-2-pyrazinyl)harnstoff [German] [ACD/IUPAC Name]
1-[5-Bromo-2-(3-hydroxy-1-piperidinyl)phenyl]-3-(5-cyano-2-pyrazinyl)urea [ACD/IUPAC Name]
1-[5-Bromo-2-(3-hydroxy-1-pipéridinyl)phényl]-3-(5-cyano-2-pyrazinyl)urée [French] [ACD/IUPAC Name]
Urea, N-[5-bromo-2-(3-hydroxy-1-piperidinyl)phenyl]-N'-(5-cyano-2-pyrazinyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 538.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 279.2±30.1 °C
Index of Refraction: 1.698
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 25.60
ACD/KOC (pH 5.5): 353.34
ACD/LogD (pH 7.4): 2.16
ACD/BCF (pH 7.4): 25.81
ACD/KOC (pH 7.4): 356.20
Polar Surface Area: 114 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 253.9±5.0 cm3

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