ChemSpider 2D Image | 1-[7-(3-Chlorophenyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one | C26H30ClNO4

1-[7-(3-Chlorophenyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one

  • Molecular FormulaC26H30ClNO4
  • Average mass455.974 Da
  • Monoisotopic mass455.186340 Da
  • ChemSpider ID22121884

More details:

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

1-[7-(3-Chlorophenyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-one [ACD/IUPAC Name]
1-[7-(3-Chlorophényl)-9-(tétrahydro-2H-pyran-2-ylméthoxy)-2,3-dihydro-1,4-benzoxazépin-4(5H)-yl]-4-pentén-1-one [French] [ACD/IUPAC Name]
1-[7-(3-Chlorphenyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]-4-penten-1-on [German] [ACD/IUPAC Name]
4-Penten-1-one, 1-[7-(3-chlorophenyl)-2,3-dihydro-9-[(tetrahydro-2H-pyran-2-yl)methoxy]-1,4-benzoxazepin-4(5H)-yl]- [ACD/Index Name]
7-(3-chlorophenyl)-4-(4-pentenoyl)-9-(tetrahydro-2H-pyran-2-ylmethoxy)-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: 633.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.7±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 125.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1592.70
ACD/KOC (pH 5.5): 6818.44
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1592.70
ACD/KOC (pH 7.4): 6818.44
Polar Surface Area: 48 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 386.7±3.0 cm3

Click to predict properties on the Chemicalize site


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