ChemSpider 2D Image | 4-(4-Ethoxybenzyl)-7-{[4-(3-pyridinyloxy)-1-piperidinyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine | C29H35N3O3

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

  • Molecular FormulaC29H35N3O3
  • Average mass473.607 Da
  • Monoisotopic mass473.267853 Da
  • ChemSpider ID22155262

More details:






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

1,4-Benzoxazepine, 4-[(4-ethoxyphenyl)methyl]-2,3,4,5-tetrahydro-7-[[4-(3-pyridinyloxy)-1-piperidinyl]methyl]- [ACD/Index Name]
4-(4-Ethoxybenzyl)-7-{[4-(3-pyridinyloxy)-1-piperidinyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepin [German] [ACD/IUPAC Name]
4-(4-Ethoxybenzyl)-7-{[4-(3-pyridinyloxy)-1-piperidinyl]methyl}-2,3,4,5-tetrahydro-1,4-benzoxazepine [ACD/IUPAC Name]
4-(4-Éthoxybenzyl)-7-{[4-(3-pyridinyloxy)-1-pipéridinyl]méthyl}-2,3,4,5-tétrahydro-1,4-benzoxazépine [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 604.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.9±3.0 kJ/mol
Flash Point: 319.2±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 138.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.75
ACD/LogD (pH 7.4): 3.47
ACD/BCF (pH 7.4): 191.54
ACD/KOC (pH 7.4): 1054.87
Polar Surface Area: 47 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 404.0±3.0 cm3

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