ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(butylamino)-2-oxo-1-(3-vinylphenyl)ethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C31H51N3O4S

2-Methyl-2-propanyl [1-{[2-(butylamino)-2-oxo-1-(3-vinylphenyl)ethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC31H51N3O4S
  • Average mass561.819 Da
  • Monoisotopic mass561.360046 Da
  • ChemSpider ID16522210

More details:

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

[1-{[2-(Butylamino)-2-oxo-1-(3-vinylphényl)éthyl](heptyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[2-(butylamino)-2-oxo-1-(3-vinylphenyl)ethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(butylamino)-2-oxo-1-(3-vinylphenyl)ethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(butylamino)-1-(3-ethenylphenyl)-2-oxoethyl]heptylamino]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: 695.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.0±3.0 kJ/mol
Flash Point: 374.5±34.3 °C
Index of Refraction: 1.525
Molar Refractivity: 163.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 2
ACD/LogP: 9.64
ACD/LogD (pH 5.5): 7.30
ACD/BCF (pH 5.5): 131824.77
ACD/KOC (pH 5.5): 92772.88
ACD/LogD (pH 7.4): 7.22
ACD/BCF (pH 7.4): 109486.25
ACD/KOC (pH 7.4): 77051.95
Polar Surface Area: 120 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 36.9±7.0 dyne/cm
Molar Volume: 534.7±7.0 cm3

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