ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](heptyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C35H47N3O4S

2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](heptyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC35H47N3O4S
  • Average mass605.830 Da
  • Monoisotopic mass605.328735 Da
  • ChemSpider ID16550731

More details:

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

(1-{[1-(4-Éthylphényl)-2-(2-naphtylamino)-2-oxoéthyl](heptyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](heptyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[1-(4-ethylphenyl)-2-(2-naphthylamino)-2-oxoethyl](heptyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[1-(4-ethylphenyl)-2-(2-naphthalenylamino)-2-oxoethyl]heptylamino]-1-(mercaptomethyl)-2-oxoethyl]-, 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: 746.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.2±3.0 kJ/mol
Flash Point: 405.2±35.7 °C
Index of Refraction: 1.573
Molar Refractivity: 177.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 11.38
ACD/LogD (pH 5.5): 9.19
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1744895.13
ACD/LogD (pH 7.4): 8.93
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 965806.19
Polar Surface Area: 134 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 537.7±7.0 cm3

Click to predict properties on the Chemicalize site


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