ChemSpider 2D Image | Propyl 4-[({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate | C20H25N5O7S2

Propyl 4-[({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate

  • Molecular FormulaC20H25N5O7S2
  • Average mass511.572 Da
  • Monoisotopic mass511.119537 Da
  • ChemSpider ID3965553

More details:

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

4-[({4-[(2,6-Diméthoxy-4-pyrimidinyl)sulfamoyl]phényl}carbamothioyl)amino]-4-oxobutanoate de propyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[[[4-[[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl]phenyl]amino]thioxomethyl]amino]-4-oxo-, propyl ester [ACD/Index Name]
Propyl 4-[({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Propyl-4-[({4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-{3-[4-(2,6-Dimethoxy-pyrimidin-4-ylsulfamoyl)-phenyl]-thioureido}-4-oxo-butyric acid propyl ester
MFCD05873623
propyl 3-(N-{[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]thioxomethyl}carbamoyl)propanoate
propyl 4-({[(4-{[(2,6-dimethoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)amino]carbonothioyl}amino)-4-oxobutanoate
propyl 4-({[(4-{[(2,6-dimethoxypyrimidin-4-yl)amino]sulfonyl}phenyl)amino]carbonothioyl}amino)-4-oxobutanoate
propyl 4-[({4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl}carbamothioyl)amino]-4-oxobutanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.610
    Molar Refractivity: 125.7±0.4 cm3
    #H bond acceptors: 12
    #H bond donors: 3
    #Freely Rotating Bonds: 14
    #Rule of 5 Violations: 2
    ACD/LogP: 3.39
    ACD/LogD (pH 5.5): 1.41
    ACD/BCF (pH 5.5): 3.38
    ACD/KOC (pH 5.5): 35.33
    ACD/LogD (pH 7.4): 0.73
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 7.34
    Polar Surface Area: 198 Å2
    Polarizability: 49.8±0.5 10-24cm3
    Surface Tension: 69.5±3.0 dyne/cm
    Molar Volume: 362.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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