ChemSpider 2D Image | N~2~-[trans-4-({2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]-N~4~,N~4~-dimethyl-2,4-quinazolinediamine | C25H29BrF3N5O

N2-[trans-4-({2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediamine

  • Molecular FormulaC25H29BrF3N5O
  • Average mass552.430 Da
  • Monoisotopic mass551.150757 Da
  • ChemSpider ID82963485

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4-Quinazolinediamine, N2-[trans-4-[[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethyl]amino]cyclohexyl]-N4,N4-dimethyl- [ACD/Index Name]
N2-[trans-4-({2-[4-Brom-2-(trifluormethoxy)phenyl]ethyl}amino)cyclohexyl]-N4,N4-dimethyl-2,4-chinazolindiamin [German] [ACD/IUPAC Name]
N2-[trans-4-({2-[4-Bromo-2-(trifluoromethoxy)phenyl]ethyl}amino)cyclohexyl]-N4,N4-dimethyl-2,4-quinazolinediamine [ACD/IUPAC Name]
N2-[trans-4-({2-[4-Bromo-2-(trifluorométhoxy)phényl]éthyl}amino)cyclohexyl]-N4,N4-diméthyl-2,4-quinazolinediamine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 600.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.615
Molar Refractivity: 134.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 1.96
ACD/BCF (pH 5.5): 1.88
ACD/KOC (pH 5.5): 3.75
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 9.49
ACD/KOC (pH 7.4): 18.90
Polar Surface Area: 62 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 385.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement