ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(5-methyl-2-hexanyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate | C32H46ClN3O4S

2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(5-methyl-2-hexanyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate

  • Molecular FormulaC32H46ClN3O4S
  • Average mass604.243 Da
  • Monoisotopic mass603.289734 Da
  • ChemSpider ID16521797

More details:

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

{1-[{2-[(2-Chloro-6-méthylphényl)amino]-2-oxo-1-phényléthyl}(5-méthyl-2-hexanyl)amino]-4-(méthylsulfanyl)-1-oxo-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(5-methyl-2-hexanyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2-chlor-6-methylphenyl)amino]-2-oxo-1-phenylethyl}(5-methyl-2-hexanyl)amino]-4-(methylsulfanyl)-1-oxo-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[1-[[[2-[(2-chloro-6-methylphenyl)amino]-2-oxo-1-phenylethyl](1,4-dimethylpentyl)amino]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: 732.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.555
Molar Refractivity: 170.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 9.95
ACD/LogD (pH 5.5): 6.97
ACD/BCF (pH 5.5): 111300.20
ACD/KOC (pH 5.5): 135607.20
ACD/LogD (pH 7.4): 6.16
ACD/BCF (pH 7.4): 17177.94
ACD/KOC (pH 7.4): 20929.45
Polar Surface Area: 120 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 38.7±7.0 dyne/cm
Molar Volume: 530.6±7.0 cm3

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