ChemSpider 2D Image | 1-{3-[4-({6-[(4-Chlorophenoxy)methyl]-6-hydroxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-piperidinone | C27H35ClN2O5

1-{3-[4-({6-[(4-Chlorophenoxy)methyl]-6-hydroxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-piperidinone

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID68631882

More details:

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

1-{3-[4-({6-[(4-Chlorophenoxy)methyl]-6-hydroxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-piperidinone [ACD/IUPAC Name]
1-{3-[4-({6-[(4-Chlorophénoxy)méthyl]-6-hydroxy-1,4-oxazépan-4-yl}méthyl)phénoxy]propyl}-2-pipéridinone [French] [ACD/IUPAC Name]
1-{3-[4-({6-[(4-Chlorphenoxy)methyl]-6-hydroxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-piperidinon [German] [ACD/IUPAC Name]
2-Piperidinone, 1-[3-[4-[[6-[(4-chlorophenoxy)methyl]tetrahydro-6-hydroxy-1,4-oxazepin-4(5H)-yl]methyl]phenoxy]propyl]- [ACD/Index 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: 688.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.0±3.0 kJ/mol
Flash Point: 370.2±31.5 °C
Index of Refraction: 1.577
Molar Refractivity: 135.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 2.39
ACD/BCF (pH 5.5): 17.82
ACD/KOC (pH 5.5): 109.46
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 341.60
ACD/KOC (pH 7.4): 2098.17
Polar Surface Area: 71 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 408.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement