ChemSpider 2D Image | N-[2-(3-Ethoxy-4-methoxyphenyl)ethyl]-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)benzamide | C29H33FN2O6

N-[2-(3-Ethoxy-4-methoxyphenyl)ethyl]-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)benzamide

  • Molecular FormulaC29H33FN2O6
  • Average mass524.581 Da
  • Monoisotopic mass524.232239 Da
  • ChemSpider ID24669830

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[2-(3-ethoxy-4-methoxyphenyl)ethyl]-2-fluoro-6-[2-[[(1S)-2-hydroxy-1-(phenylmethyl)ethyl]amino]-2-oxoethoxy]- [ACD/Index Name]
N-[2-(3-Ethoxy-4-methoxyphenyl)ethyl]-2-fluor-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)benzamid [German] [ACD/IUPAC Name]
N-[2-(3-Ethoxy-4-methoxyphenyl)ethyl]-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phenyl-2-propanyl]amino}-2-oxoethoxy)benzamide [ACD/IUPAC Name]
N-[2-(3-Éthoxy-4-méthoxyphényl)éthyl]-2-fluoro-6-(2-{[(2S)-1-hydroxy-3-phényl-2-propanyl]amino}-2-oxoéthoxy)benzamide [French] [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: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 114.4±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 141.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 302.98
ACD/KOC (pH 5.5): 2078.73
ACD/LogD (pH 7.4): 3.57
ACD/BCF (pH 7.4): 302.98
ACD/KOC (pH 7.4): 2078.73
Polar Surface Area: 106 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 47.2±3.0 dyne/cm
Molar Volume: 430.3±3.0 cm3

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