ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(3-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C26H43N3O5S

2-Methyl-2-propanyl [1-{[1-(3-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC26H43N3O5S
  • Average mass509.702 Da
  • Monoisotopic mass509.292328 Da
  • ChemSpider ID16519017

More details:

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

[1-{[1-(3-Hydroxyphényl)-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-(3-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(3-hydroxyphenyl)-2-oxo-2-(pentylamino)ethyl](propyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(3-hydroxyphenyl)-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: 683.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.2±3.0 kJ/mol
Flash Point: 366.9±34.3 °C
Index of Refraction: 1.540
Molar Refractivity: 141.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 6.83
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 829.42
ACD/KOC (pH 5.5): 2553.80
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 680.18
ACD/KOC (pH 7.4): 2094.29
Polar Surface Area: 140 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 40.0±7.0 dyne/cm
Molar Volume: 452.6±7.0 cm3

Click to predict properties on the Chemicalize site


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