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

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

  • Molecular FormulaC31H51N3O4S
  • Average mass561.819 Da
  • Monoisotopic mass561.360046 Da
  • ChemSpider ID16522209

More details:

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

[1-(Heptyl{2-[(2-méthyl-2-propanyl)amino]-2-oxo-1-(3-vinylphényl)éthyl}amino)-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-(heptyl{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3-vinylphenyl)ethyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-(heptyl{2-[(2-methyl-2-propanyl)amino]-2-oxo-1-(3-vinylphenyl)ethyl}amino)-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(1,1-dimethylethyl)amino]-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: 1.0±0.1 g/cm3
Boiling Point: 688.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 370.0±34.3 °C
Index of Refraction: 1.522
Molar Refractivity: 164.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 9.27
ACD/LogD (pH 5.5): 7.06
ACD/BCF (pH 5.5): 78058.26
ACD/KOC (pH 5.5): 56806.98
ACD/LogD (pH 7.4): 6.98
ACD/BCF (pH 7.4): 64971.90
ACD/KOC (pH 7.4): 47283.36
Polar Surface Area: 120 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 35.9±7.0 dyne/cm
Molar Volume: 538.3±7.0 cm3

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