ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C33H55N3O4S

2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC33H55N3O4S
  • Average mass589.872 Da
  • Monoisotopic mass589.391357 Da
  • ChemSpider ID16522243

More details:

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

[1-{[2-(Cyclohexylamino)-1-(3,5-diméthylphényl)-2-oxoéthyl](heptyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl](heptyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-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: 716.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.9±3.0 kJ/mol
Flash Point: 387.0±35.7 °C
Index of Refraction: 1.547
Molar Refractivity: 170.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.54
ACD/LogD (pH 5.5): 8.16
ACD/BCF (pH 5.5): 645198.50
ACD/KOC (pH 5.5): 321417.19
ACD/LogD (pH 7.4): 8.08
ACD/BCF (pH 7.4): 535683.81
ACD/KOC (pH 7.4): 266860.50
Polar Surface Area: 120 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 38.5±7.0 dyne/cm
Molar Volume: 538.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement