ChemSpider 2D Image | 4-Methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(5-pyrimidinyl)-2-pyridinyl]amino}benzamide | C28H22F3N7O

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

  • Molecular FormulaC28H22F3N7O
  • Average mass529.516 Da
  • Monoisotopic mass529.183777 Da
  • ChemSpider ID129272541

More details:

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

4-Methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluormethyl)phenyl]-3-{[4-(5-pyrimidinyl)-2-pyridinyl]amino}benzamid [German] [ACD/IUPAC Name]
4-Methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]-3-{[4-(5-pyrimidinyl)-2-pyridinyl]amino}benzamide [ACD/IUPAC Name]
4-Méthyl-N-[3-(1-méthyl-1H-pyrazol-4-yl)-5-(trifluorométhyl)phényl]-3-{[4-(5-pyrimidinyl)-2-pyridinyl]amino}benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(5-pyrimidinyl)-2-pyridinyl]amino]- [ACD/Index 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: 644.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.0±3.0 kJ/mol
Flash Point: 343.3±31.5 °C
Index of Refraction: 1.650
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.93
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 1992.21
ACD/KOC (pH 5.5): 7951.59
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2037.45
ACD/KOC (pH 7.4): 8132.16
Polar Surface Area: 98 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 388.7±7.0 cm3

Click to predict properties on the Chemicalize site


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