ChemSpider 2D Image | N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-2-methoxy-N-[(3S)-2-oxo-3-azepanyl]benzamide | C29H34N2O6S

N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-2-methoxy-N-[(3S)-2-oxo-3-azepanyl]benzamide

  • Molecular FormulaC29H34N2O6S
  • Average mass538.655 Da
  • Monoisotopic mass538.213745 Da
  • ChemSpider ID22865880

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

Benzamide, N-[[3,5-dimethoxy-4-[2-(3-thienyl)ethoxy]phenyl]methyl]-N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-2-methoxy- [ACD/Index Name]
N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-2-methoxy-N-[(3S)-2-oxo-3-azepanyl]benzamid [German] [ACD/IUPAC Name]
N-{3,5-Dimethoxy-4-[2-(3-thienyl)ethoxy]benzyl}-2-methoxy-N-[(3S)-2-oxo-3-azepanyl]benzamide [ACD/IUPAC Name]
N-{3,5-Diméthoxy-4-[2-(3-thiényl)éthoxy]benzyl}-2-méthoxy-N-[(3S)-2-oxo-3-azépanyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 772.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±3.0 kJ/mol
Flash Point: 420.9±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 147.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.61
ACD/LogD (pH 5.5): 3.20
ACD/BCF (pH 5.5): 160.36
ACD/KOC (pH 5.5): 1318.29
ACD/LogD (pH 7.4): 3.20
ACD/BCF (pH 7.4): 160.36
ACD/KOC (pH 7.4): 1318.29
Polar Surface Area: 115 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 422.5±5.0 cm3

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