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

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

  • Molecular FormulaC27H35ClN2O5
  • Average mass503.030 Da
  • Monoisotopic mass502.223450 Da
  • ChemSpider ID68719843

More details:

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

1-{3-[3-({6-[(3-Chlorophenoxy)methyl]-6-methoxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-pyrrolidinone [ACD/IUPAC Name]
1-{3-[3-({6-[(3-Chlorophénoxy)méthyl]-6-méthoxy-1,4-oxazépan-4-yl}méthyl)phénoxy]propyl}-2-pyrrolidinone [French] [ACD/IUPAC Name]
1-{3-[3-({6-[(3-Chlorphenoxy)methyl]-6-methoxy-1,4-oxazepan-4-yl}methyl)phenoxy]propyl}-2-pyrrolidinon [German] [ACD/IUPAC Name]
2-Pyrrolidinone, 1-[3-[3-[[6-[(3-chlorophenoxy)methyl]tetrahydro-6-methoxy-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: 1.3±0.1 g/cm3
Boiling Point: 654.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.4±3.0 kJ/mol
Flash Point: 349.5±31.5 °C
Index of Refraction: 1.596
Molar Refractivity: 136.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 114.33
ACD/KOC (pH 5.5): 552.15
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 945.03
ACD/KOC (pH 7.4): 4563.96
Polar Surface Area: 60 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 401.2±5.0 cm3

Click to predict properties on the Chemicalize site


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