ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(4-ethynylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C28H43N3O4S

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

  • Molecular FormulaC28H43N3O4S
  • Average mass517.724 Da
  • Monoisotopic mass517.297424 Da
  • ChemSpider ID16519046

More details:

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

[1-{[1-(4-Éthynylphényl)-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-(4-ethynylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(4-ethinylphenyl)-2-oxo-2-(2-pentanylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(4-ethynylphenyl)-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: 659.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 352.5±34.3 °C
Index of Refraction: 1.529
Molar Refractivity: 149.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.56
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 689.74
ACD/KOC (pH 5.5): 2270.12
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 565.80
ACD/KOC (pH 7.4): 1862.18
Polar Surface Area: 120 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 485.7±7.0 cm3

Click to predict properties on the Chemicalize site


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