ChemSpider 2D Image | 2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(isopropylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate | C28H47N3O4S

2-Methyl-2-propanyl (1-{[1-(4-ethylphenyl)-2-(isopropylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate

  • Molecular FormulaC28H47N3O4S
  • Average mass521.755 Da
  • Monoisotopic mass521.328735 Da
  • ChemSpider ID16550438

More details:

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

(1-{[1-(4-Éthylphényl)-2-(isopropylamino)-2-oxoéthyl](5-méthyl-2-hexanyl)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-(isopropylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1-{[1-(4-ethylphenyl)-2-(isopropylamino)-2-oxoethyl](5-methyl-2-hexanyl)amino}-1-oxo-3-sulfanyl-2-propanyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[(1,4-dimethylpentyl)[1-(4-ethylphenyl)-2-[(1-methylethyl)amino]-2-oxoethyl]amino]-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: 635.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.7±3.0 kJ/mol
Flash Point: 338.3±34.3 °C
Index of Refraction: 1.535
Molar Refractivity: 149.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.91
ACD/LogD (pH 5.5): 5.31
ACD/BCF (pH 5.5): 4903.66
ACD/KOC (pH 5.5): 11240.51
ACD/LogD (pH 7.4): 5.16
ACD/BCF (pH 7.4): 3480.70
ACD/KOC (pH 7.4): 7978.71
Polar Surface Area: 134 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 35.2±7.0 dyne/cm
Molar Volume: 479.1±7.0 cm3

Click to predict properties on the Chemicalize site


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