ChemSpider 2D Image | 7-{[4-(Benzyloxy)-1-piperidinyl]methyl}-4-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine | C26H33F3N2O2

7-{[4-(Benzyloxy)-1-piperidinyl]methyl}-4-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine

  • Molecular FormulaC26H33F3N2O2
  • Average mass462.548 Da
  • Monoisotopic mass462.249420 Da
  • ChemSpider ID22162341

More details:

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

1,4-Benzoxazepine, 2,3,4,5-tetrahydro-7-[[4-(phenylmethoxy)-1-piperidinyl]methyl]-4-(4,4,4-trifluorobutyl)- [ACD/Index Name]
7-{[4-(Benzyloxy)-1-piperidinyl]methyl}-4-(4,4,4-trifluorbutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
7-{[4-(Benzyloxy)-1-piperidinyl]methyl}-4-(4,4,4-trifluorobutyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
7-{[4-(Benzyloxy)-1-pipéridinyl]méthyl}-4-(4,4,4-trifluorobutyl)-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 511.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 263.2±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 123.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.29
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 197.25
ACD/KOC (pH 7.4): 822.17
Polar Surface Area: 25 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 46.0±5.0 dyne/cm
Molar Volume: 380.4±5.0 cm3

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