ChemSpider 2D Image | (2,3-Dimethoxyphenyl){4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone | C18H19F3N4O3

(2,3-Dimethoxyphenyl){4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone

  • Molecular FormulaC18H19F3N4O3
  • Average mass396.364 Da
  • Monoisotopic mass396.140930 Da
  • ChemSpider ID35300063

More details:

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

(2,3-Dimethoxyphenyl){4-[6-(trifluormethyl)-4-pyrimidinyl]-1-piperazinyl}methanon [German] [ACD/IUPAC Name]
(2,3-Dimethoxyphenyl){4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl}methanone [ACD/IUPAC Name]
(2,3-Diméthoxyphényl){4-[6-(trifluorométhyl)-4-pyrimidinyl]-1-pipérazinyl}méthanone [French] [ACD/IUPAC Name]
Methanone, (2,3-dimethoxyphenyl)[4-[6-(trifluoromethyl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]
4-[4-(2,3-dimethoxybenzoyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 557.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.9±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 94.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.32
ACD/KOC (pH 5.5): 524.87
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.40
ACD/KOC (pH 7.4): 525.78
Polar Surface Area: 68 Å2
Polarizability: 37.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 297.7±3.0 cm3

Click to predict properties on the Chemicalize site


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