ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C28H38ClN3O4S

2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC28H38ClN3O4S
  • Average mass548.137 Da
  • Monoisotopic mass547.227173 Da
  • ChemSpider ID16518947

More details:






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

{1-[{2-[(2-Chloro-6-méthylphényl)amino]-2-oxo-1-phényléthyl}(propyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2-chlor-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(propyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl]propylamino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 708.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.8±3.0 kJ/mol
Flash Point: 382.2±35.7 °C
Index of Refraction: 1.564
Molar Refractivity: 152.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.19
ACD/LogD (pH 5.5): 5.41
ACD/BCF (pH 5.5): 7357.83
ACD/KOC (pH 5.5): 19443.01
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1122.99
ACD/KOC (pH 7.4): 2967.49
Polar Surface Area: 120 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 40.9±7.0 dyne/cm
Molar Volume: 468.2±7.0 cm3

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