ChemSpider 2D Image | 1-(6-[(3-Fluorophenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)-2-methoxyethanone | C28H38FN3O6

1-(6-[(3-Fluorophenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)-2-methoxyethanone

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID68658054

More details:

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

1-(6-[(3-Fluorophenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)-2-methoxyethanone [ACD/IUPAC Name]
1-(6-[(3-Fluorophénoxy)méthyl]-6-hydroxy-4-{[4-hydroxy-1-(4-méthoxyphényl)-4-pipéridinyl]méthyl}-1,4-diazépan-1-yl)-2-méthoxyéthanone [French] [ACD/IUPAC Name]
1-(6-[(3-Fluorphenoxy)methyl]-6-hydroxy-4-{[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl}-1,4-diazepan-1-yl)-2-methoxyethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[6-[(3-fluorophenoxy)methyl]hexahydro-6-hydroxy-4-[[4-hydroxy-1-(4-methoxyphenyl)-4-piperidinyl]methyl]-1H-1,4-diazepin-1-yl]-2-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 699.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.5±3.0 kJ/mol
Flash Point: 376.9±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 140.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 1.83
ACD/KOC (pH 5.5): 26.17
ACD/LogD (pH 7.4): 2.04
ACD/BCF (pH 7.4): 20.42
ACD/KOC (pH 7.4): 291.33
Polar Surface Area: 95 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 424.3±3.0 cm3

Click to predict properties on the Chemicalize site


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