ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(2-methylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C27H45N3O4S

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

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID16518972

More details:

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

[1-{[1-(2-Méthylphényl)-2-oxo-2-(pentylamino)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-(2-methylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(2-methylphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(2-methylphenyl)-2-oxo-2-(pentylamino)ethyl]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: 652.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 348.6±34.3 °C
Index of Refraction: 1.531
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 8.02
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 4138.57
ACD/KOC (pH 5.5): 8244.69
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 3432.26
ACD/KOC (pH 7.4): 6837.60
Polar Surface Area: 120 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 37.4±7.0 dyne/cm
Molar Volume: 470.6±7.0 cm3

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