ChemSpider 2D Image | Dimethyl ({3-hydroxy-1-phenyl-6-[4-(2-pyridinyl)phenyl]-2,5-hexanediyl}bis[imino(3,3-dimethyl-1-oxo-1,2-butanediyl)])biscarbamate | C39H53N5O7

Dimethyl ({3-hydroxy-1-phenyl-6-[4-(2-pyridinyl)phenyl]-2,5-hexanediyl}bis[imino(3,3-dimethyl-1-oxo-1,2-butanediyl)])biscarbamate

  • Molecular FormulaC39H53N5O7
  • Average mass703.867 Da
  • Monoisotopic mass703.394470 Da
  • ChemSpider ID9414503

More details:

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

({3-Hydroxy-1-phényl-6-[4-(2-pyridinyl)phényl]-2,5-hexanediyl}bis[imino(3,3-diméthyl-1-oxo-1,2-butanediyl)])biscarbamate de diméthyle [French] [ACD/IUPAC Name]
Carbamic acid, N,N'-[[2-hydroxy-1-(phenylmethyl)-4-[[4-(2-pyridinyl)phenyl]methyl]-1,4-butanediyl]bis[imino[1-(1,1-dimethylethyl)-2-oxo-2,1-ethanediyl]]]bis-, dimethyl ester [ACD/Index Name]
Dimethyl ({3-hydroxy-1-phenyl-6-[4-(2-pyridinyl)phenyl]-2,5-hexanediyl}bis[imino(3,3-dimethyl-1-oxo-1,2-butanediyl)])biscarbamate [ACD/IUPAC Name]
Dimethyl-({3-hydroxy-1-phenyl-6-[4-(2-pyridinyl)phenyl]-2,5-hexandiyl}bis[imino(3,3-dimethyl-1-oxo-1,2-butandiyl)])biscarbamat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 935.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.6±3.0 kJ/mol
Flash Point: 519.7±34.3 °C
Index of Refraction: 1.555
Molar Refractivity: 194.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 4
ACD/LogP: 5.34
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3462.22
ACD/KOC (pH 5.5): 11437.97
ACD/LogD (pH 7.4): 5.03
ACD/BCF (pH 7.4): 3946.84
ACD/KOC (pH 7.4): 13038.99
Polar Surface Area: 168 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 46.3±3.0 dyne/cm
Molar Volume: 607.5±3.0 cm3

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