ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(2,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C28H47N3O4S

2-Methyl-2-propanyl [1-{[1-(2,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC28H47N3O4S
  • Average mass521.755 Da
  • Monoisotopic mass521.328735 Da
  • ChemSpider ID16519137

More details:

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

[1-{[1-(2,4-Diméthylphényl)-2-oxo-2-(pentylamino)éthyl](propyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[1-(2,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(2,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(2,4-dimethylphenyl)-2-oxo-2-(pentylamino)ethyl]propylamino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl 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: 664.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 355.4±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.48
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 7984.32
ACD/KOC (pH 5.5): 12825.79
ACD/LogD (pH 7.4): 5.61
ACD/BCF (pH 7.4): 6631.57
ACD/KOC (pH 7.4): 10652.77
Polar Surface Area: 120 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 485.7±7.0 cm3

Click to predict properties on the Chemicalize site


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