ChemSpider 2D Image | [7-(6,7-Dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](4-fluorophenyl)methanone | C29H27FN2O5

[7-(6,7-Dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](4-fluorophenyl)methanone

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID22230988

More details:

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

[7-(6,7-Dimethoxy-4-methyl-2-chinolinyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](4-fluorphenyl)methanon [German] [ACD/IUPAC Name]
[7-(6,7-Diméthoxy-4-méthyl-2-quinoléinyl)-9-méthoxy-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl](4-fluorophényl)méthanone [French] [ACD/IUPAC Name]
[7-(6,7-Dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl](4-fluorophenyl)methanone [ACD/IUPAC Name]
Methanone, [7-(6,7-dimethoxy-4-methyl-2-quinolinyl)-2,3-dihydro-9-methoxy-1,4-benzoxazepin-4(5H)-yl](4-fluorophenyl)- [ACD/Index Name]
7-(6,7-dimethoxy-4-methyl-2-quinolinyl)-4-(4-fluorobenzoyl)-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 385.74
ACD/KOC (pH 5.5): 2361.76
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 451.26
ACD/KOC (pH 7.4): 2762.97
Polar Surface Area: 70 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 398.2±3.0 cm3

Click to predict properties on the Chemicalize site


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