ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C29H49N3O4S

2-Methyl-2-propanyl (1-{[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC29H49N3O4S
  • Average mass535.782 Da
  • Monoisotopic mass535.344360 Da
  • ChemSpider ID16550440

More details:

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

(1-{[2-(Butylamino)-1-(4-éthylphényl)-2-oxoéthyl](5-méthyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[2-(butylamino)-1-(4-ethylphenyl)-2-oxoethyl](1,4-dimethylpentyl)amino]-1-(mercaptomethyl)-2-oxoethyl]-, 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: 649.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 346.4±34.3 °C
Index of Refraction: 1.533
Molar Refractivity: 154.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 9.62
ACD/LogD (pH 5.5): 5.40
ACD/BCF (pH 5.5): 4727.90
ACD/KOC (pH 5.5): 8707.42
ACD/LogD (pH 7.4): 5.25
ACD/BCF (pH 7.4): 3374.36
ACD/KOC (pH 7.4): 6214.58
Polar Surface Area: 134 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 35.7±7.0 dyne/cm
Molar Volume: 496.0±7.0 cm3

Click to predict properties on the Chemicalize site


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