ChemSpider 2D Image | 2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate | C35H47N3O4S

2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID16521181

More details:

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

[1-{[1-(2,6-Diméthylphényl)-2-(2-naphtylamino)-2-oxoéthyl](pentyl)amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [1-{[1-(2,6-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[1-{[1-(2,6-dimethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](pentyl)amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[1-(2,6-dimethylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl]pentylamino]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: 763.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 415.5±35.7 °C
Index of Refraction: 1.568
Molar Refractivity: 177.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 10.40
ACD/LogD (pH 5.5): 7.83
ACD/BCF (pH 5.5): 447383.13
ACD/KOC (pH 5.5): 319584.53
ACD/LogD (pH 7.4): 7.63
ACD/BCF (pH 7.4): 282751.91
ACD/KOC (pH 7.4): 201981.55
Polar Surface Area: 120 Å2
Polarizability: 70.3±0.5 10-24cm3
Surface Tension: 40.1±7.0 dyne/cm
Molar Volume: 541.8±7.0 cm3

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