ChemSpider 2D Image | 2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-1-(3,5-dimethylphenyl)-2-oxoethyl}(heptyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamate | C32H46ClN3O4S

2-Methyl-2-propanyl {1-[{2-[(2-chloro-6-methylphenyl)amino]-1-(3,5-dimethylphenyl)-2-oxoethyl}(heptyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamate

  • Molecular FormulaC32H46ClN3O4S
  • Average mass604.243 Da
  • Monoisotopic mass603.289734 Da
  • ChemSpider ID16550747

More details:

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

{1-[{2-[(2-Chloro-6-méthylphényl)amino]-1-(3,5-diméthylphényl)-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-[{2-[(2-chloro-6-methylphenyl)amino]-1-(3,5-dimethylphenyl)-2-oxoethyl}(heptyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{1-[{2-[(2-chlor-6-methylphenyl)amino]-1-(3,5-dimethylphenyl)-2-oxoethyl}(heptyl)amino]-1-oxo-3-sulfanyl-2-propanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[2-[(2-chloro-6-methylphenyl)amino]-1-(3,5-dimethylphenyl)-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: 726.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.9±35.7 °C
Index of Refraction: 1.561
Molar Refractivity: 170.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 11.08
ACD/LogD (pH 5.5): 9.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2274969.50
ACD/LogD (pH 7.4): 8.40
ACD/BCF (pH 7.4): 881596.94
ACD/KOC (pH 7.4): 354740.69
Polar Surface Area: 134 Å2
Polarizability: 67.4±0.5 10-24cm3
Surface Tension: 38.6±7.0 dyne/cm
Molar Volume: 525.6±7.0 cm3

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