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

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

  • Molecular FormulaC28H47N3O4S
  • Average mass521.755 Da
  • Monoisotopic mass521.328735 Da
  • ChemSpider ID16519136

More details:

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

[1-{[1-(2,4-Diméthylphényl)-2-oxo-2-(2-pentanylamino)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-(2-pentanylamino)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-(2-pentanylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(2,4-dimethylphenyl)-2-[(1-methylbutyl)amino]-2-oxoethyl]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: 660.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.0±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 149.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.30
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 1294.77
ACD/KOC (pH 5.5): 3178.31
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1069.23
ACD/KOC (pH 7.4): 2624.69
Polar Surface Area: 120 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 484.9±7.0 cm3

Click to predict properties on the Chemicalize site


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