ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2,6-dimethylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}(pentyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C32H47N3O5S

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

  • Molecular FormulaC32H47N3O5S
  • Average mass585.798 Da
  • Monoisotopic mass585.323669 Da
  • ChemSpider ID16521123

More details:

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

{1-[{2-[(2,6-Diméthylphényl)amino]-1-(2-hydroxy-3-méthylphényl)-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-[{2-[(2,6-dimethylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}(pentyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2,6-dimethylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl}(pentyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(2,6-dimethylphenyl)amino]-1-(2-hydroxy-3-methylphenyl)-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: 749.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.6±3.0 kJ/mol
Flash Point: 407.0±35.7 °C
Index of Refraction: 1.556
Molar Refractivity: 166.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 8.90
ACD/LogD (pH 5.5): 6.78
ACD/BCF (pH 5.5): 79272.18
ACD/KOC (pH 5.5): 104078.08
ACD/LogD (pH 7.4): 6.53
ACD/BCF (pH 7.4): 44516.93
ACD/KOC (pH 7.4): 58447.20
Polar Surface Area: 140 Å2
Polarizability: 66.1±0.5 10-24cm3
Surface Tension: 39.5±7.0 dyne/cm
Molar Volume: 518.6±7.0 cm3

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