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

2-Methyl-2-propanyl {1-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-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 ID16550439

More details:

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

{1-[{1-(4-Éthylphényl)-2-[(2-méthyl-2-propanyl)amino]-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-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(5-methyl-2-hexanyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(5-methyl-2-hexanyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[2-[(1,1-dimethylethyl)amino]-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: 641.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.0±34.3 °C
Index of Refraction: 1.530
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 9.26
ACD/LogD (pH 5.5): 5.22
ACD/BCF (pH 5.5): 3130.72
ACD/KOC (pH 5.5): 5779.75
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 2239.58
ACD/KOC (pH 7.4): 4134.57
Polar Surface Area: 134 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 34.7±7.0 dyne/cm
Molar Volume: 499.6±7.0 cm3

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