ChemSpider 2D Image | N-Benzyl-3-(2-cyano-6-propyl-4-pyrimidinyl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide | C27H28F3N5O

N-Benzyl-3-(2-cyano-6-propyl-4-pyrimidinyl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID25060823

More details:






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

Benzamide, 3-(2-cyano-6-propyl-4-pyrimidinyl)-N-[2-(dimethylamino)ethyl]-N-(phenylmethyl)-5-(trifluoromethyl)- [ACD/Index Name]
N-Benzyl-3-(2-cyan-6-propyl-4-pyrimidinyl)-N-[2-(dimethylamino)ethyl]-5-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
N-Benzyl-3-(2-cyano-6-propyl-4-pyrimidinyl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide [ACD/IUPAC Name]
N-Benzyl-3-(2-cyano-6-propyl-4-pyrimidinyl)-N-[2-(diméthylamino)éthyl]-5-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 656.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.7±3.0 kJ/mol
Flash Point: 351.1±34.3 °C
Index of Refraction: 1.585
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.68
ACD/KOC (pH 5.5): 8.81
ACD/LogD (pH 7.4): 3.10
ACD/BCF (pH 7.4): 76.74
ACD/KOC (pH 7.4): 403.46
Polar Surface Area: 73 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 390.7±5.0 cm3

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