ChemSpider 2D Image | (2E)-3-(2-Acetyl-3-amino-7-methoxy-1-benzofuran-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-butenamide | C25H28N2O6

(2E)-3-(2-Acetyl-3-amino-7-methoxy-1-benzofuran-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-butenamide

  • Molecular FormulaC25H28N2O6
  • Average mass452.500 Da
  • Monoisotopic mass452.194733 Da
  • ChemSpider ID21195927

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(2-Acetyl-3-amino-7-methoxy-1-benzofuran-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-butenamid [German] [ACD/IUPAC Name]
(2E)-3-(2-Acetyl-3-amino-7-methoxy-1-benzofuran-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-butenamide [ACD/IUPAC Name]
(2E)-3-(2-Acétyl-3-amino-7-méthoxy-1-benzofuran-4-yl)-N-[2-(3,4-diméthoxyphényl)éthyl]-2-buténamide [French] [ACD/IUPAC Name]
2-Butenamide, 3-(2-acetyl-3-amino-7-methoxy-4-benzofuranyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-, (2E)- [ACD/Index Name]
(E)-2-Acetyl-3-amino-4-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]-1-methylvinyl]-7-methoxybenzo[b]furan

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

Density: 1.2±0.1 g/cm3
Boiling Point: 660.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.3±34.3 °C
Index of Refraction: 1.576
Molar Refractivity: 121.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.45
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 3.95
ACD/KOC (pH 5.5): 27.88
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 3.95
ACD/KOC (pH 7.4): 27.90
Polar Surface Area: 117 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 41.8±7.0 dyne/cm
Molar Volume: 366.8±7.0 cm3

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