ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(benzylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C28H39N3O4S

2-Methyl-2-propanyl [1-{[2-(benzylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC28H39N3O4S
  • Average mass513.692 Da
  • Monoisotopic mass513.266113 Da
  • ChemSpider ID16518944

More details:






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

[1-{[2-(Benzylamino)-2-oxo-1-phényléthyl](propyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[2-(benzylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(benzylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-(methylthio)-1-[[[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethyl]propylamino]carbonyl]propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 672.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 360.5±34.3 °C
Index of Refraction: 1.557
Molar Refractivity: 147.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.34
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 254.49
ACD/KOC (pH 5.5): 916.46
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 210.03
ACD/KOC (pH 7.4): 756.33
Polar Surface Area: 120 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 40.8±7.0 dyne/cm
Molar Volume: 459.8±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement