ChemSpider 2D Image | Ethyl 4-({[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)-1-piperazinecarboxylate | C24H30N4O4S2

Ethyl 4-({[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)-1-piperazinecarboxylate

  • Molecular FormulaC24H30N4O4S2
  • Average mass502.649 Da
  • Monoisotopic mass502.170837 Da
  • ChemSpider ID3389389

More details:

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

1-Piperazinecarboxylic acid, 4-[2-[[3-(3,5-dimethylphenyl)-3,4,6,7-tetrahydro-6-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl]thio]acetyl]-, ethyl ester [ACD/Index Name]
4-(2-{[3-(3,5-Diméthylphényl)-6-méthyl-4-oxo-3,4,6,7-tétrahydrothiéno[3,2-d]pyrimidin-2-yl]sulfanyl}acétyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-({[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
851410-69-0 [RN]
ethyl 4-(2-((3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)acetyl)piperazine-1-carboxylate
ethyl 4-(2-{[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetyl)piperazine-1-carboxylate
ethyl 4-[2-[[3-(3,5-dimethylphenyl)-6-methyl-4-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]acetyl]piperazine-1-carboxylate

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 694.7±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 101.8±3.0 kJ/mol
    Flash Point: 373.9±34.3 °C
    Index of Refraction: 1.671
    Molar Refractivity: 136.7±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 5.07
    ACD/LogD (pH 5.5): 3.42
    ACD/BCF (pH 5.5): 232.60
    ACD/KOC (pH 5.5): 1720.38
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 232.60
    ACD/KOC (pH 7.4): 1720.38
    Polar Surface Area: 133 Å2
    Polarizability: 54.2±0.5 10-24cm3
    Surface Tension: 53.7±7.0 dyne/cm
    Molar Volume: 365.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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