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Search term: FRSWPGKMMGVEGT-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(1H-Imidazol-1-ylmethyl)-N-[4-methyl-3-(5-pyrimidinylethynyl)phenyl]-3-(trifluoromethyl)benzamide | C25H18F3N5O

4-(1H-Imidazol-1-ylmethyl)-N-[4-methyl-3-(5-pyrimidinylethynyl)phenyl]-3-(trifluoromethyl)benzamide

  • Molecular FormulaC25H18F3N5O
  • Average mass461.439 Da
  • Monoisotopic mass461.146332 Da
  • ChemSpider ID29411499

More details:

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

4-(1H-Imidazol-1-ylmethyl)-N-[4-methyl-3-(5-pyrimidinylethinyl)phenyl]-3-(trifluormethyl)benzamid [German] [ACD/IUPAC Name]
4-(1H-Imidazol-1-ylmethyl)-N-[4-methyl-3-(5-pyrimidinylethynyl)phenyl]-3-(trifluoromethyl)benzamide [ACD/IUPAC Name]
4-(1H-Imidazol-1-ylméthyl)-N-[4-méthyl-3-(5-pyrimidinyléthynyl)phényl]-3-(trifluorométhyl)benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-(1H-imidazol-1-ylmethyl)-N-[4-methyl-3-[2-(5-pyrimidinyl)ethynyl]phenyl]-3-(trifluoromethyl)- [ACD/Index 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: 586.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 308.4±30.1 °C
Index of Refraction: 1.607
Molar Refractivity: 124.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 2.94
ACD/BCF (pH 5.5): 56.67
ACD/KOC (pH 5.5): 315.30
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 559.31
ACD/KOC (pH 7.4): 3111.96
Polar Surface Area: 73 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 43.7±7.0 dyne/cm
Molar Volume: 360.7±7.0 cm3

Click to predict properties on the Chemicalize site


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