ChemSpider 2D Image | Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinecarboxylate | C16H17FN2O4S

Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinecarboxylate

  • Molecular FormulaC16H17FN2O4S
  • Average mass352.381 Da
  • Monoisotopic mass352.089294 Da
  • ChemSpider ID24740057

More details:

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

4-(4-Fluorophényl)-6-isopropyl-2-(méthylsulfonyl)-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-6-(1-methylethyl)-2-(methylsulfonyl)-, methyl ester [ACD/Index Name]
799842-06-1 [RN]
Methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidinecarboxylate [ACD/IUPAC Name]
methyl 4-(4-fluorophenyl)-6-isopropyl-2-(methylsulfonyl)pyrimidine-5-carboxylate
Methyl-4-(4-fluorphenyl)-6-isopropyl-2-(methylsulfonyl)-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
[799842-06-1] [RN]
3-(1-Piperazinyl)benzonitrile [ACD/IUPAC Name]
3-piperazin-1-ylbenzonitrile
4-(4-Fluorophenyl)-6-(1-methylethyl)-2-(methylsulfonyl)-5-pyrimidinecarboxylic acid methyl ester
More...

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 546.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.5±3.0 kJ/mol
    Flash Point: 284.1±32.9 °C
    Index of Refraction: 1.535
    Molar Refractivity: 85.6±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.80
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.99
    ACD/KOC (pH 5.5): 604.78
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.99
    ACD/KOC (pH 7.4): 604.78
    Polar Surface Area: 95 Å2
    Polarizability: 33.9±0.5 10-24cm3
    Surface Tension: 45.4±3.0 dyne/cm
    Molar Volume: 275.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement