ChemSpider 2D Image | 3-Phenylpropyl 5-({[4-(benzylsulfamoyl)phenyl]carbamothioyl}amino)-5-oxopentanoate | C28H31N3O5S2

3-Phenylpropyl 5-({[4-(benzylsulfamoyl)phenyl]carbamothioyl}amino)-5-oxopentanoate

  • Molecular FormulaC28H31N3O5S2
  • Average mass553.693 Da
  • Monoisotopic mass553.170532 Da
  • ChemSpider ID4105064

More details:

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

3-Phenylpropyl 5-({[4-(benzylsulfamoyl)phenyl]carbamothioyl}amino)-5-oxopentanoate [ACD/IUPAC Name]
3-Phenylpropyl-5-({[4-(benzylsulfamoyl)phenyl]carbamothioyl}amino)-5-oxopentanoat [German] [ACD/IUPAC Name]
5-({[4-(Benzylsulfamoyl)phényl]carbamothioyl}amino)-5-oxopentanoate de 3-phénylpropyle [French] [ACD/IUPAC Name]
Pentanoic acid, 5-oxo-5-[[[[4-[[(phenylmethyl)amino]sulfonyl]phenyl]amino]thioxomethyl]amino]-, 3-phenylpropyl ester [ACD/Index Name]
3-phenylpropyl 4-(N-{[(4-{[benzylamino]sulfonyl}phenyl)amino]thioxomethyl}carbamoyl)butanoate
3-phenylpropyl 5-[({4-[(benzylamino)sulfonyl]anilino}carbothioyl)amino]-5-oxopentanoate
3-phenylpropyl 5-[[4-(benzylsulfamoyl)phenyl]carbamothioylamino]-5-oxopentanoate
3-phenylpropyl 5-{[({4-[(benzylamino)sulfonyl]phenyl}amino)carbonothioyl]amino}-5-oxopentanoate
5-[3-(4-Benzylsulfamoyl-phenyl)-thioureido]-5-oxo-pentanoic acid 3-phenyl-propyl ester
875751-94-3 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.626
    Molar Refractivity: 151.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 16
    #Rule of 5 Violations: 2
    ACD/LogP: 5.48
    ACD/LogD (pH 5.5): 4.48
    ACD/BCF (pH 5.5): 1486.33
    ACD/KOC (pH 5.5): 6488.91
    ACD/LogD (pH 7.4): 4.47
    ACD/BCF (pH 7.4): 1460.79
    ACD/KOC (pH 7.4): 6377.38
    Polar Surface Area: 154 Å2
    Polarizability: 60.0±0.5 10-24cm3
    Surface Tension: 60.5±3.0 dyne/cm
    Molar Volume: 427.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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