ChemSpider 2D Image | Ethyl 4-[3-({1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-4-piperidinyl}oxy)benzyl]-1-piperazinecarboxylate | C31H39N5O4

Ethyl 4-[3-({1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-4-piperidinyl}oxy)benzyl]-1-piperazinecarboxylate

  • Molecular FormulaC31H39N5O4
  • Average mass545.672 Da
  • Monoisotopic mass545.300232 Da
  • ChemSpider ID22119334

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-[[1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-4-piperidinyl]oxy]phenyl]methyl]-, ethyl ester [ACD/Index Name]
4-[3-({1-[3-(3,5-Diméthyl-1H-pyrazol-1-yl)benzoyl]-4-pipéridinyl}oxy)benzyl]-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[3-({1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-4-piperidinyl}oxy)benzyl]-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-[3-({1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)benzoyl]-4-piperidinyl}oxy)benzyl]-1-piperazincarboxylat [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: 700.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.3±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 155.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.01
ACD/LogD (pH 5.5): 2.66
ACD/BCF (pH 5.5): 40.35
ACD/KOC (pH 5.5): 297.10
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 222.65
ACD/KOC (pH 7.4): 1639.40
Polar Surface Area: 80 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 441.1±7.0 cm3

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