ChemSpider 2D Image | 5-(Methoxymethyl)-N-{3-methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2-furamide | C28H33N3O6

5-(Methoxymethyl)-N-{3-methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2-furamide

  • Molecular FormulaC28H33N3O6
  • Average mass507.578 Da
  • Monoisotopic mass507.236938 Da
  • ChemSpider ID23045354

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Furancarboxamide, N-[(3S)-hexahydro-2-oxo-1H-azepin-3-yl]-5-(methoxymethyl)-N-[[3-methoxy-4-[2-(2-pyridinyl)ethoxy]phenyl]methyl]- [ACD/Index Name]
5-(Methoxymethyl)-N-{3-methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2-furamid [German] [ACD/IUPAC Name]
5-(Methoxymethyl)-N-{3-methoxy-4-[2-(2-pyridinyl)ethoxy]benzyl}-N-[(3S)-2-oxo-3-azepanyl]-2-furamide [ACD/IUPAC Name]
5-(Méthoxyméthyl)-N-{3-méthoxy-4-[2-(2-pyridinyl)éthoxy]benzyl}-N-[(3S)-2-oxo-3-azépanyl]-2-furamide [French] [ACD/IUPAC Name]
N-({3-METHOXY-4-[2-(PYRIDIN-2-YL)ETHOXY]PHENYL}METHYL)-5-(METHOXYMETHYL)-N-[(3S)-2-OXOAZEPAN-3-YL]FURAN-2-CARBOXAMIDE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 738.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 137.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 18.80
ACD/KOC (pH 5.5): 252.03
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.50
ACD/KOC (pH 7.4): 382.13
Polar Surface Area: 103 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 402.1±5.0 cm3

Click to predict properties on the Chemicalize site


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