ChemSpider 2D Image | N-[2-(Diethylamino)ethyl]-3-{2-[(2-methyl-6-{[4-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)amino]-1H-imidazol-1-yl}benzamide | C28H31F3N8O2

N-[2-(Diethylamino)ethyl]-3-{2-[(2-methyl-6-{[4-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)amino]-1H-imidazol-1-yl}benzamide

  • Molecular FormulaC28H31F3N8O2
  • Average mass568.593 Da
  • Monoisotopic mass568.252197 Da
  • ChemSpider ID25035787

More details:

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

Benzamide, N-[2-(diethylamino)ethyl]-3-[2-[[2-methyl-6-[[4-(trifluoromethoxy)phenyl]amino]-4-pyrimidinyl]amino]-1H-imidazol-1-yl]- [ACD/Index Name]
N-[2-(Diethylamino)ethyl]-3-{2-[(2-methyl-6-{[4-(trifluormethoxy)phenyl]amino}-4-pyrimidinyl)amino]-1H-imidazol-1-yl}benzamid [German] [ACD/IUPAC Name]
N-[2-(Diethylamino)ethyl]-3-{2-[(2-methyl-6-{[4-(trifluoromethoxy)phenyl]amino}-4-pyrimidinyl)amino]-1H-imidazol-1-yl}benzamide [ACD/IUPAC Name]
N-[2-(Diéthylamino)éthyl]-3-{2-[(2-méthyl-6-{[4-(trifluorométhoxy)phényl]amino}-4-pyrimidinyl)amino]-1H-imidazol-1-yl}benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.59
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.21
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 55.28
ACD/KOC (pH 7.4): 167.77
Polar Surface Area: 109 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 44.7±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

Click to predict properties on the Chemicalize site


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