ChemSpider 2D Image | N-[1,3-Benzodioxol-5-yl(2-pyridinyl)methyl]-1-[2-(2,4-dichlorophenoxy)ethyl]-4-piperidinecarboxamide | C27H27Cl2N3O4

N-[1,3-Benzodioxol-5-yl(2-pyridinyl)methyl]-1-[2-(2,4-dichlorophenoxy)ethyl]-4-piperidinecarboxamide

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID26643545

More details:

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

4-Piperidinecarboxamide, N-(1,3-benzodioxol-5-yl-2-pyridinylmethyl)-1-[2-(2,4-dichlorophenoxy)ethyl]- [ACD/Index Name]
N-[1,3-Benzodioxol-5-yl(2-pyridinyl)methyl]-1-[2-(2,4-dichlorophenoxy)ethyl]-4-piperidinecarboxamide [ACD/IUPAC Name]
N-[1,3-Benzodioxol-5-yl(2-pyridinyl)méthyl]-1-[2-(2,4-dichlorophénoxy)éthyl]-4-pipéridinecarboxamide [French] [ACD/IUPAC Name]
N-[1,3-Benzodioxol-5-yl(2-pyridinyl)methyl]-1-[2-(2,4-dichlorphenoxy)ethyl]-4-piperidincarboxamid [German] [ACD/IUPAC 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: 724.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 392.0±32.9 °C
Index of Refraction: 1.613
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 34.00
ACD/KOC (pH 5.5): 112.11
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1546.88
ACD/KOC (pH 7.4): 5100.44
Polar Surface Area: 73 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 396.4±3.0 cm3

Click to predict properties on the Chemicalize site


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