ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}(2-hydroxyethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C29H41N3O6S

2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}(2-hydroxyethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC29H41N3O6S
  • Average mass559.717 Da
  • Monoisotopic mass559.271606 Da
  • ChemSpider ID16518933

More details:






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

{1-[{2-[(2,6-Diméthylphényl)amino]-1-(4-hydroxy-3-méthylphényl)-2-oxoéthyl}(2-hydroxyéthyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}(2-hydroxyethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl}(2-hydroxyethyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(2,6-dimethylphenyl)amino]-1-(4-hydroxy-3-methylphenyl)-2-oxoethyl](2-hydroxyethyl)amino]carbonyl]-3-(methylthio)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 769.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.6±3.0 kJ/mol
Flash Point: 419.4±35.7 °C
Index of Refraction: 1.571
Molar Refractivity: 153.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 6.90
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 610.67
ACD/KOC (pH 5.5): 3202.32
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 340.68
ACD/KOC (pH 7.4): 1786.49
Polar Surface Area: 160 Å2
Polarizability: 61.0±0.5 10-24cm3
Surface Tension: 42.6±7.0 dyne/cm
Molar Volume: 468.6±7.0 cm3

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