ChemSpider 2D Image | N-[2-({2-[(6R)-3,6-Dimethoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]-2-oxo-1-phenylethyl}amino)-2-oxo-1-phenylethyl]isonicotinamide | C39H38N4O6

N-[2-({2-[(6R)-3,6-Dimethoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]-2-oxo-1-phenylethyl}amino)-2-oxo-1-phenylethyl]isonicotinamide

  • Molecular FormulaC39H38N4O6
  • Average mass658.742 Da
  • Monoisotopic mass658.279114 Da
  • ChemSpider ID17574715

  • defined stereocentres - 1 of 5 defined stereocentres

More details:

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

4-Pyridinecarboxamide, N-[2-oxo-2-[[2-oxo-1-phenyl-2-[(6R)-4a,5,9,10-tetrahydro-3,6-dimethoxy-6H-benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]ethyl]amino]-1-phenylethyl]- [ACD/Index Name]
N-[2-({2-[(6R)-3,6-Dimethoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]-2-oxo-1-phenylethyl}amino)-2-oxo-1-phenylethyl]isonicotinamid [German] [ACD/IUPAC Name]
N-[2-({2-[(6R)-3,6-Dimethoxy-5,6,9,10-tetrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazepin-11(12H)-yl]-2-oxo-1-phenylethyl}amino)-2-oxo-1-phenylethyl]isonicotinamide [ACD/IUPAC Name]
N-[2-({2-[(6R)-3,6-Diméthoxy-5,6,9,10-tétrahydro-4aH-[1]benzofuro[3a,3,2-ef][2]benzazépin-11(12H)-yl]-2-oxo-1-phényléthyl}amino)-2-oxo-1-phényléthyl]isonicotinamide [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 947.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 138.0±3.0 kJ/mol
Flash Point: 526.8±34.3 °C
Index of Refraction: 1.675
Molar Refractivity: 183.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.40
ACD/LogD (pH 5.5): 3.98
ACD/BCF (pH 5.5): 627.20
ACD/KOC (pH 5.5): 3494.43
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.02
ACD/KOC (pH 7.4): 3510.18
Polar Surface Area: 119 Å2
Polarizability: 72.6±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 487.8±5.0 cm3

Click to predict properties on the Chemicalize site


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