ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C27H45N3O4S

2-Methyl-2-propanyl {1-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC27H45N3O4S
  • Average mass507.729 Da
  • Monoisotopic mass507.313080 Da
  • ChemSpider ID16519089

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}(propyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}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}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{1-(4-ethylphenyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(1,1-dimethylethyl)amino]-1-(4-ethylphenyl)-2-oxoethyl]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: 645.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.0±3.0 kJ/mol
Flash Point: 344.0±34.3 °C
Index of Refraction: 1.526
Molar Refractivity: 145.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 4.39
ACD/BCF (pH 5.5): 739.98
ACD/KOC (pH 5.5): 2085.31
ACD/LogD (pH 7.4): 4.30
ACD/BCF (pH 7.4): 615.48
ACD/KOC (pH 7.4): 1734.45
Polar Surface Area: 120 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 36.2±7.0 dyne/cm
Molar Volume: 474.2±7.0 cm3

Click to predict properties on the Chemicalize site


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