ChemSpider 2D Image | 2-{[2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide | C23H17F4N5O3S

2-{[2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID3775157

More details:

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

2-{[2-(4-Fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-{[2-(4-Fluorophényl)-6,8-diméthyl-5,7-dioxo-5,6,7,8-tétrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
2-{[2-(4-Fluorphenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-[[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-6,8-dimethyl-5,7-dioxopyrimido[4,5-d]pyrimidin-4-yl]thio]-N-[2-(trifluoromethyl)phenyl]- [ACD/Index Name]
2-((2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-yl)thio)-N-(2-(trifluoromethyl)phenyl)acetamide
2-[7-(4-fluorophenyl)-1,3-dimethyl-2,4-dioxopyrimido[4,5-d]pyrimidin-5-yl]sulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[2-(4-fluorophenyl)-6,8-dimethyl-5,7-dioxo-5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
852170-38-8 [RN]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.656
    Molar Refractivity: 122.4±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 1
    ACD/LogP: 2.66
    ACD/LogD (pH 5.5): 3.52
    ACD/BCF (pH 5.5): 277.20
    ACD/KOC (pH 5.5): 1950.54
    ACD/LogD (pH 7.4): 3.52
    ACD/BCF (pH 7.4): 277.20
    ACD/KOC (pH 7.4): 1950.52
    Polar Surface Area: 121 Å2
    Polarizability: 48.5±0.5 10-24cm3
    Surface Tension: 70.7±5.0 dyne/cm
    Molar Volume: 333.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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