ChemSpider 2D Image | trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)methyl]cyclohexanecarboxylic acid | C33H41N3O6

trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)methyl]cyclohexanecarboxylic acid

  • Molecular FormulaC33H41N3O6
  • Average mass575.695 Da
  • Monoisotopic mass575.299561 Da
  • ChemSpider ID58891134

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide trans-4-[([1-(2,3-dihydro-1-benzofuran-5-yl)éthyl]{3-méthyl-4-[2-(3-méthyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)éthoxy]benzyl}amino)méthyl]cyclohexanecarboxylique [French] [ACD/IUPAC Name]
Cyclohexanecarboxylic acid, 4-[[[1-(2,3-dihydro-5-benzofuranyl)ethyl][[4-[2-(3,6-dihydro-3-methyl-2,6-dioxo-1(2H)-pyrimidinyl)ethoxy]-3-methylphenyl]methyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)methyl]cyclohexancarbonsäure [German] [ACD/IUPAC Name]
trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methyl-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)methyl]cyclohexanecarboxylic acid [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: 715.1±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.3±35.7 °C
Index of Refraction: 1.595
Molar Refractivity: 158.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.65
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 10.93
ACD/KOC (pH 5.5): 38.31
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 9.91
ACD/KOC (pH 7.4): 34.75
Polar Surface Area: 100 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 52.7±3.0 dyne/cm
Molar Volume: 466.5±3.0 cm3

Click to predict properties on the Chemicalize site


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