ChemSpider 2D Image | trans-3-([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)cyclobutanecarboxylic acid | C30H35N3O7

trans-3-([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)cyclobutanecarboxylic acid

  • Molecular FormulaC30H35N3O7
  • Average mass549.615 Da
  • Monoisotopic mass549.247498 Da
  • ChemSpider ID58891254

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Acide trans-3-([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)cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-[[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]-, trans- [ACD/Index Name]
trans-3-([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)cyclobutancarbonsäure [German] [ACD/IUPAC Name]
trans-3-([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)cyclobutanecarboxylic acid [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 705.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.7±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.95
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.50
ACD/LogD (pH 7.4): 0.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.28
Polar Surface Area: 109 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 67.1±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

Click to predict properties on the Chemicalize site


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