ChemSpider 2D Image | N-[2-{[2-(Dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acrylamide | C28H31F3N8O2

N-[2-{[2-(Dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acrylamide

  • Molecular FormulaC28H31F3N8O2
  • Average mass568.593 Da
  • Monoisotopic mass568.252197 Da
  • ChemSpider ID81367235

More details:






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

2-Propenamide, N-[2-[[2-(dimethylamino)ethyl]methylamino]-5-[[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino]-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]- [ACD/Index Name]
N-[2-{[2-(Dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}-6-(2,2,2-trifluorethoxy)-3-pyridinyl]acrylamid [German] [ACD/IUPAC Name]
N-[2-{[2-(Dimethylamino)ethyl](methyl)amino}-5-{[4-(1-methyl-1H-indol-3-yl)-2-pyrimidinyl]amino}-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acrylamide [ACD/IUPAC Name]
N-[2-{[2-(Diméthylamino)éthyl](méthyl)amino}-5-{[4-(1-méthyl-1H-indol-3-yl)-2-pyrimidinyl]amino}-6-(2,2,2-trifluoroéthoxy)-3-pyridinyl]acrylamide [French] [ACD/IUPAC Name]
1869057-83-9 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 150.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.09
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 6.61
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 28.49
ACD/KOC (pH 7.4): 125.14
Polar Surface Area: 100 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 437.9±7.0 cm3

Click to predict properties on the Chemicalize site






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