ChemSpider 2D Image | 4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({2-[(2-methyl-2-propanyl)amino]-5-pyrimidinyl}ethynyl)benzamide | C29H27F3N6O

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({2-[(2-methyl-2-propanyl)amino]-5-pyrimidinyl}ethynyl)benzamide

  • Molecular FormulaC29H27F3N6O
  • Average mass532.560 Da
  • Monoisotopic mass532.219849 Da
  • ChemSpider ID58978677

More details:






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

4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluormethyl)phenyl]-3-({2-[(2-methyl-2-propanyl)amino]-5-pyrimidinyl}ethinyl)benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-({2-[(2-methyl-2-propanyl)amino]-5-pyrimidinyl}ethynyl)benzamide [ACD/IUPAC Name]
4-Méthyl-N-[3-(4-méthyl-1H-imidazol-1-yl)-5-(trifluorométhyl)phényl]-3-({2-[(2-méthyl-2-propanyl)amino]-5-pyrimidinyl}éthynyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[2-[2-[(1,1-dimethylethyl)amino]-5-pyrimidinyl]ethynyl]-4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.591
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.44
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 7948.55
ACD/KOC (pH 5.5): 16599.65
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 19536.80
ACD/KOC (pH 7.4): 40800.44
Polar Surface Area: 85 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 40.2±7.0 dyne/cm
Molar Volume: 431.3±7.0 cm3

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