ChemSpider 2D Image | N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide | C29H29F3N6O

N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide

  • Molecular FormulaC29H29F3N6O
  • Average mass534.575 Da
  • Monoisotopic mass534.235474 Da
  • ChemSpider ID9672277

More details:

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

Benzamide, N-[3-[3-(dimethylamino)propyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[[3-(4-pyrimidinyl)-2-pyridinyl]amino]- [ACD/Index Name]
N-{3-[3-(Dimethylamino)propyl]-5-(trifluormethyl)phenyl}-4-methyl-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamid [German] [ACD/IUPAC Name]
N-{3-[3-(Dimethylamino)propyl]-5-(Trifluoromethyl)phenyl}-4-Methyl-3-[(3-Pyrimidin-4-Ylpyridin-2-Yl)amino]benzamide
N-{3-[3-(Dimethylamino)propyl]-5-(trifluoromethyl)phenyl}-4-methyl-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide [ACD/IUPAC Name]
N-{3-[3-(Diméthylamino)propyl]-5-(trifluorométhyl)phényl}-4-méthyl-3-{[3-(4-pyrimidinyl)-2-pyridinyl]amino}benzamide [French] [ACD/IUPAC Name]
pyridinyl pyrimidine 39
RAJ

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

Density: 1.3±0.1 g/cm3
Boiling Point: 586.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 308.2±30.1 °C
Index of Refraction: 1.615
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 11.32
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 28.35
ACD/KOC (pH 7.4): 93.95
Polar Surface Area: 83 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 49.9±3.0 dyne/cm
Molar Volume: 418.7±3.0 cm3

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