ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](ethyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C27H43N3O5S

2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](ethyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC27H43N3O5S
  • Average mass521.712 Da
  • Monoisotopic mass521.292358 Da
  • ChemSpider ID16517503

More details:

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

[1-{[2-(Cyclohexylamino)-1-(4-hydroxy-3-méthylphényl)-2-oxoéthyl](éthyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](ethyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](ethyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-(cyclohexylamino)-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl]ethylamino]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: 1.2±0.1 g/cm3
Boiling Point: 695.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.9±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 144.0±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.69
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 450.43
ACD/KOC (pH 5.5): 1863.98
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 368.53
ACD/KOC (pH 7.4): 1525.06
Polar Surface Area: 140 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 42.2±7.0 dyne/cm
Molar Volume: 440.2±7.0 cm3

Click to predict properties on the Chemicalize site


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