ChemSpider 2D Image | 2-{5-Acetyl-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}-5-cyano-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamide | C29H27F3N6O3

2-{5-Acetyl-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}-5-cyano-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamide

  • Molecular FormulaC29H27F3N6O3
  • Average mass564.558 Da
  • Monoisotopic mass564.209656 Da
  • ChemSpider ID61751009

More details:

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

2-{5-Acetyl-3,6-dimethyl-2-oxo-1-[3-(trifluormethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}-5-cyan-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamid [German] [ACD/IUPAC Name]
2-{5-Acetyl-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-4-pyrimidinyl}-5-cyano-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]benzamide [ACD/IUPAC Name]
2-{5-Acétyl-3,6-diméthyl-2-oxo-1-[3-(trifluorométhyl)phényl]-1,2,3,4-tétrahydro-4-pyrimidinyl}-5-cyano-N-méthyl-N-[(1-méthyl-1H-imidazol-2-yl)méthyl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-[5-acetyl-1,2,3,4-tetrahydro-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-4-pyrimidinyl]-5-cyano-N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]- [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: 733.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 397.3±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 148.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.25
ACD/LogD (pH 5.5): 1.55
ACD/BCF (pH 5.5): 4.30
ACD/KOC (pH 5.5): 42.17
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 68.57
ACD/KOC (pH 7.4): 672.84
Polar Surface Area: 103 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 430.7±7.0 cm3

Click to predict properties on the Chemicalize site


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