ChemSpider 2D Image | Methyl 1-{[4-(2-chloro-3,4-dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-2-piperidinecarboxylate | C26H33ClN2O5

Methyl 1-{[4-(2-chloro-3,4-dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-2-piperidinecarboxylate

  • Molecular FormulaC26H33ClN2O5
  • Average mass489.004 Da
  • Monoisotopic mass488.207794 Da
  • ChemSpider ID22169861

More details:

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

1-{[4-(2-Chloro-3,4-diméthoxybenzyl)-2,3,4,5-tétrahydro-1,4-benzoxazépin-7-yl]méthyl}-2-pipéridinecarboxylate de méthyle [French] [ACD/IUPAC Name]
2-Piperidinecarboxylic acid, 1-[[4-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl]-, methyl ester [ACD/Index Name]
Methyl 1-{[4-(2-chloro-3,4-dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-2-piperidinecarboxylate [ACD/IUPAC Name]
Methyl-1-{[4-(2-chlor-3,4-dimethoxybenzyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl]methyl}-2-piperidincarboxylat [German] [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: 568.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.4±3.0 kJ/mol
Flash Point: 297.8±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 131.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 1.11
ACD/KOC (pH 5.5): 6.34
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 163.26
ACD/KOC (pH 7.4): 934.77
Polar Surface Area: 60 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 47.6±3.0 dyne/cm
Molar Volume: 398.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement