ChemSpider 2D Image | 3-(3-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione | C24H20ClFN4O3S

3-(3-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

  • Molecular FormulaC24H20ClFN4O3S
  • Average mass498.957 Da
  • Monoisotopic mass498.092865 Da
  • ChemSpider ID26018691

More details:

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

3-(3-Chlorophenyl)-1-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione [ACD/IUPAC Name]
3-(3-Chlorophényl)-1-{2-[4-(2-fluorophényl)-1-pipérazinyl]-2-oxoéthyl}thiéno[3,2-d]pyrimidine-2,4(1H,3H)-dione [French] [ACD/IUPAC Name]
3-(3-Chlorphenyl)-1-{2-[4-(2-fluorphenyl)-1-piperazinyl]-2-oxoethyl}thieno[3,2-d]pyrimidin-2,4(1H,3H)-dion [German] [ACD/IUPAC Name]
Thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 3-(3-chlorophenyl)-1-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]- [ACD/Index Name]
1260949-03-8 [RN]
3-(3-chlorophenyl)-1-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidine-2,4-dione
3-(3-chlorophenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-1H,2H,3H,4H-thieno[3,2-d]pyrimidine-2,4-dione
3-(3-Chloro-phenyl)-1-{2-[4-(2-fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-thieno[3,2-d]pyrimidine-2,4-dione
3-(3-chlorophenyl)-1-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 701.3±70.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.7±3.0 kJ/mol
    Flash Point: 377.9±35.7 °C
    Index of Refraction: 1.661
    Molar Refractivity: 126.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.34
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 209.46
    ACD/KOC (pH 5.5): 1596.03
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 209.50
    ACD/KOC (pH 7.4): 1596.26
    Polar Surface Area: 92 Å2
    Polarizability: 50.0±0.5 10-24cm3
    Surface Tension: 63.0±3.0 dyne/cm
    Molar Volume: 341.2±3.0 cm3

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