ChemSpider 2D Image | 3-[2-(2-Fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-1-propanone | C29H38FN3O3

3-[2-(2-Fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-1-propanone

  • Molecular FormulaC29H38FN3O3
  • Average mass495.629 Da
  • Monoisotopic mass495.289734 Da
  • ChemSpider ID23050314

More details:

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

1-Propanone, 3-[2-(2-fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-[4-[1-(4-morpholinyl)ethyl]-1-piperidinyl]- [ACD/Index Name]
3-[2-(2-Fluorophenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-1-propanone [ACD/IUPAC Name]
3-[2-(2-Fluorophényl)-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl]-1-{4-[1-(4-morpholinyl)éthyl]-1-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
3-[2-(2-Fluorphenyl)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-1-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
2-(2-fluorophenyl)-4-(3-{4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}-3-oxopropyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

Density: 1.2±0.1 g/cm3
Boiling Point: 631.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.6±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 137.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 0.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.51
ACD/LogD (pH 7.4): 3.23
ACD/BCF (pH 7.4): 138.27
ACD/KOC (pH 7.4): 935.21
Polar Surface Area: 45 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 422.5±3.0 cm3

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