ChemSpider 2D Image | 2-(Benzylsulfanyl)-5-chloro-N-(2-fluorophenyl)-4-pyrimidinecarboxamide | C18H13ClFN3OS

2-(Benzylsulfanyl)-5-chloro-N-(2-fluorophenyl)-4-pyrimidinecarboxamide

  • Molecular FormulaC18H13ClFN3OS
  • Average mass373.832 Da
  • Monoisotopic mass373.045197 Da
  • ChemSpider ID21531212

More details:

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

2-(Benzylsulfanyl)-5-chlor-N-(2-fluorphenyl)-4-pyrimidincarboxamid [German] [ACD/IUPAC Name]
2-(Benzylsulfanyl)-5-chloro-N-(2-fluorophenyl)-4-pyrimidinecarboxamide [ACD/IUPAC Name]
2-(Benzylsulfanyl)-5-chloro-N-(2-fluorophényl)-4-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
4-Pyrimidinecarboxamide, 5-chloro-N-(2-fluorophenyl)-2-[(phenylmethyl)thio]- [ACD/Index Name]
2-(benzylsulfanyl)-5-chloro-N-(2-fluorophenyl)pyrimidine-4-carboxamide
2-benzylsulfanyl-5-chloro-N-(2-fluorophenyl)pyrimidine-4-carboxamide
901656-78-8 [RN]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 472.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.6±3.0 kJ/mol
    Flash Point: 239.8±28.7 °C
    Index of Refraction: 1.668
    Molar Refractivity: 97.7±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.68
    ACD/LogD (pH 5.5): 4.43
    ACD/BCF (pH 5.5): 1362.59
    ACD/KOC (pH 5.5): 6097.37
    ACD/LogD (pH 7.4): 4.42
    ACD/BCF (pH 7.4): 1332.53
    ACD/KOC (pH 7.4): 5962.82
    Polar Surface Area: 80 Å2
    Polarizability: 38.8±0.5 10-24cm3
    Surface Tension: 67.4±5.0 dyne/cm
    Molar Volume: 262.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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