ChemSpider 2D Image | 2-(4-Chlorophenoxy)-N-(1-{2-[(4-cycloheptyl-1-piperazinyl)carbonyl]phenyl}-4-piperidinyl)acetamide | C31H41ClN4O3

2-(4-Chlorophenoxy)-N-(1-{2-[(4-cycloheptyl-1-piperazinyl)carbonyl]phenyl}-4-piperidinyl)acetamide

  • Molecular FormulaC31H41ClN4O3
  • Average mass553.135 Da
  • Monoisotopic mass552.286743 Da
  • ChemSpider ID22699405

More details:

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

2-(4-Chlorophenoxy)-N-(1-{2-[(4-cycloheptyl-1-piperazinyl)carbonyl]phenyl}-4-piperidinyl)acetamide [ACD/IUPAC Name]
2-(4-Chlorophénoxy)-N-(1-{2-[(4-cycloheptyl-1-pipérazinyl)carbonyl]phényl}-4-pipéridinyl)acétamide [French] [ACD/IUPAC Name]
2-(4-Chlorphenoxy)-N-(1-{2-[(4-cycloheptyl-1-piperazinyl)carbonyl]phenyl}-4-piperidinyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, 2-(4-chlorophenoxy)-N-[1-[2-[(4-cycloheptyl-1-piperazinyl)carbonyl]phenyl]-4-piperidinyl]- [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: 756.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±3.0 kJ/mol
Flash Point: 411.5±32.9 °C
Index of Refraction: 1.624
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 217.69
ACD/KOC (pH 5.5): 844.78
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2021.21
ACD/KOC (pH 7.4): 7843.60
Polar Surface Area: 65 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 59.0±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

Click to predict properties on the Chemicalize site


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