ChemSpider 2D Image | N-[2-Fluoro-5-({9-[2-(4-morpholinyl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide | C33H30FN3O5

N-[2-Fluoro-5-({9-[2-(4-morpholinyl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide

  • Molecular FormulaC33H30FN3O5
  • Average mass567.607 Da
  • Monoisotopic mass567.216919 Da
  • ChemSpider ID31142447

More details:






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

Benzamide, N-[5-[[6,11-dihydro-9-[2-(4-morpholinyl)ethoxy]-11-oxodibenz[b,e]oxepin-3-yl]amino]-2-fluorophenyl]- [ACD/Index Name]
N-[2-Fluor-5-({9-[2-(4-morpholinyl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamid [German] [ACD/IUPAC Name]
N-[2-Fluoro-5-({9-[2-(4-morpholinyl)ethoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxepin-3-yl}amino)phenyl]benzamide [ACD/IUPAC Name]
N-[2-Fluoro-5-({9-[2-(4-morpholinyl)éthoxy]-11-oxo-6,11-dihydrodibenzo[b,e]oxépin-3-yl}amino)phényl]benzamide [French] [ACD/IUPAC Name]
N-[2-Fluoro-5-({9-[2-(Morpholin-4-Yl)ethoxy]-11-Oxo-6,11-Dihydrodibenzo[b,E]oxepin-3-Yl}amino)phenyl]benzamide
F46

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 699.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.4±3.0 kJ/mol
Flash Point: 376.8±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 157.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 108.26
ACD/KOC (pH 5.5): 535.10
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 873.44
ACD/KOC (pH 7.4): 4317.17
Polar Surface Area: 89 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 425.6±3.0 cm3

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