ChemSpider 2D Image | Ethyl 3-{[4-(carbamoylsulfamoyl)phenyl](hexadecyl)amino}-3-oxopropanoate | C28H47N3O6S

Ethyl 3-{[4-(carbamoylsulfamoyl)phenyl](hexadecyl)amino}-3-oxopropanoate

  • Molecular FormulaC28H47N3O6S
  • Average mass553.754 Da
  • Monoisotopic mass553.318542 Da
  • ChemSpider ID102780962

More details:

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

3-{[4-(Carbamoylsulfamoyl)phényl](hexadécyl)amino}-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-{[4-(carbamoylsulfamoyl)phenyl](hexadecyl)amino}-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-{[4-(carbamoylsulfamoyl)phenyl](hexadecyl)amino}-3-oxopropanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-[[4-[[(aminocarbonyl)amino]sulfonyl]phenyl]hexadecylamino]-3-oxo-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.523
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 8.06
ACD/LogD (pH 5.5): 6.70
ACD/BCF (pH 5.5): 48928.71
ACD/KOC (pH 5.5): 49480.29
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 3174.03
ACD/KOC (pH 7.4): 3209.81
Polar Surface Area: 144 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 45.9±3.0 dyne/cm
Molar Volume: 493.0±3.0 cm3

Click to predict properties on the Chemicalize site


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