ChemSpider 2D Image | 3-[(5-Bromo-2-pyrimidinyl)amino]-1-[3-(trifluoromethyl)benzyl]-2-piperidinone | C17H16BrF3N4O

3-[(5-Bromo-2-pyrimidinyl)amino]-1-[3-(trifluoromethyl)benzyl]-2-piperidinone

  • Molecular FormulaC17H16BrF3N4O
  • Average mass429.234 Da
  • Monoisotopic mass428.045959 Da
  • ChemSpider ID77459940

More details:

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

2-Piperidinone, 3-[(5-bromo-2-pyrimidinyl)amino]-1-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
3-[(5-Brom-2-pyrimidinyl)amino]-1-[3-(trifluormethyl)benzyl]-2-piperidinon [German] [ACD/IUPAC Name]
3-[(5-Bromo-2-pyrimidinyl)amino]-1-[3-(trifluoromethyl)benzyl]-2-piperidinone [ACD/IUPAC Name]
3-[(5-Bromo-2-pyrimidinyl)amino]-1-[3-(trifluorométhyl)benzyl]-2-pipéridinone [French] [ACD/IUPAC 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: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±32.9 °C
Index of Refraction: 1.604
Molar Refractivity: 94.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 3.08
ACD/BCF (pH 5.5): 129.76
ACD/KOC (pH 5.5): 1132.92
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 129.77
ACD/KOC (pH 7.4): 1132.97
Polar Surface Area: 58 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 56.7±3.0 dyne/cm
Molar Volume: 273.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement