ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(benzylamino)-2-oxo-1-phenylethyl](octyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C33H49N3O4S

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

  • Molecular FormulaC33H49N3O4S
  • Average mass583.825 Da
  • Monoisotopic mass583.344360 Da
  • ChemSpider ID16522364

More details:

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

[1-{[2-(Benzylamino)-2-oxo-1-phényléthyl](octyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[2-(benzylamino)-2-oxo-1-phenylethyl](octyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(benzylamino)-2-oxo-1-phenylethyl](octyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-(methylthio)-1-[[octyl[2-oxo-1-phenyl-2-[(phenylmethyl)amino]ethyl]amino]carbonyl]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: 715.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.8±3.0 kJ/mol
Flash Point: 386.6±35.7 °C
Index of Refraction: 1.546
Molar Refractivity: 171.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 10.00
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 145081.81
ACD/KOC (pH 5.5): 84077.86
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 120035.30
ACD/KOC (pH 7.4): 69562.90
Polar Surface Area: 120 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 39.7±7.0 dyne/cm
Molar Volume: 540.0±7.0 cm3

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