ChemSpider 2D Image | trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methoxy-4-[2-(3-methyl-2,6-dioxo-3,6-dihydro-1(2H)-pyrimidinyl)ethoxy]benzyl}amino)methyl]cyclohexanecarboxylic acid | C33H41N3O7

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

  • Molecular FormulaC33H41N3O7
  • Average mass591.695 Da
  • Monoisotopic mass591.294434 Da
  • ChemSpider ID58893221

  • 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-méthoxy-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-methoxyphenyl]methyl]amino]methyl]-, trans- [ACD/Index Name]
trans-4-[([1-(2,3-Dihydro-1-benzofuran-5-yl)ethyl]{3-methoxy-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-methoxy-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: 725.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±35.7 °C
Index of Refraction: 1.592
Molar Refractivity: 160.4±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 4.88
ACD/KOC (pH 5.5): 22.42
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 3.77
ACD/KOC (pH 7.4): 17.31
Polar Surface Area: 109 Å2
Polarizability: 63.6±0.5 10-24cm3
Surface Tension: 52.6±3.0 dyne/cm
Molar Volume: 474.2±3.0 cm3

Click to predict properties on the Chemicalize site


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