ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C27H43N3O4S

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

  • Molecular FormulaC27H43N3O4S
  • Average mass505.713 Da
  • Monoisotopic mass505.297424 Da
  • ChemSpider ID16518943

More details:

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

[1-{[2-(Cyclohexylamino)-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-(cyclohexylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(cyclohexylamino)-2-oxo-1-phenylethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]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: 662.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.3±3.0 kJ/mol
Flash Point: 354.1±34.3 °C
Index of Refraction: 1.559
Molar Refractivity: 143.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 859.57
ACD/KOC (pH 5.5): 2755.29
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 710.05
ACD/KOC (pH 7.4): 2276.01
Polar Surface Area: 120 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 443.8±7.0 cm3

Click to predict properties on the Chemicalize site


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