ChemSpider 2D Image | 2-Methyl-2-propanyl [4-(methylsulfanyl)-1-{[2-(2-naphthylamino)-2-oxo-1-phenylethyl](propyl)amino}-1-oxo-2-butanyl]carbamate | C31H39N3O4S

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

  • Molecular FormulaC31H39N3O4S
  • Average mass549.724 Da
  • Monoisotopic mass549.266113 Da
  • ChemSpider ID16518946

More details:

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

[4-(Méthylsulfanyl)-1-{[2-(2-naphtylamino)-2-oxo-1-phényléthyl](propyl)amino}-1-oxo-2-butanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [4-(methylsulfanyl)-1-{[2-(2-naphthylamino)-2-oxo-1-phenylethyl](propyl)amino}-1-oxo-2-butanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[4-(methylsulfanyl)-1-{[2-(2-naphthylamino)-2-oxo-1-phenylethyl](propyl)amino}-1-oxo-2-butanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[3-(methylthio)-1-[[[2-(2-naphthalenylamino)-2-oxo-1-phenylethyl]propylamino]carbonyl]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: 727.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.5±3.0 kJ/mol
Flash Point: 393.9±35.7 °C
Index of Refraction: 1.578
Molar Refractivity: 159.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 8.42
ACD/LogD (pH 5.5): 5.34
ACD/BCF (pH 5.5): 5807.27
ACD/KOC (pH 5.5): 14454.62
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 3613.66
ACD/KOC (pH 7.4): 8994.60
Polar Surface Area: 120 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 479.4±7.0 cm3

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