ChemSpider 2D Image | 7-[2-(2,4-Dichlorophenyl)ethoxy]-N-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-1,3-benzodioxole-5-carboxamide | C27H27Cl2N3O4

7-[2-(2,4-Dichlorophenyl)ethoxy]-N-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC27H27Cl2N3O4
  • Average mass528.427 Da
  • Monoisotopic mass527.137878 Da
  • ChemSpider ID19679149

More details:

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

1,3-Benzodioxole-5-carboxamide, 7-[2-(2,4-dichlorophenyl)ethoxy]-N-[[1-(4-pyridinyl)-4-piperidinyl]methyl]- [ACD/Index Name]
7-[2-(2,4-Dichlorophenyl)ethoxy]-N-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
7-[2-(2,4-Dichlorophényl)éthoxy]-N-{[1-(4-pyridinyl)-4-pipéridinyl]méthyl}-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
7-[2-(2,4-dichlorophenyl)ethoxy]-N-{[1-(pyridin-4-yl)piperidin-4-yl]methyl}-1,3-benzodioxole-5-carboxamide
7-[2-(2,4-Dichlorphenyl)ethoxy]-N-{[1-(4-pyridinyl)-4-piperidinyl]methyl}-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]
3-Oxybenzamide 44
7-[2-(2,4-Dichloro-phenyl)-ethoxy]-benzo[1,3]dioxole-5-carboxylic acid (3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-4-ylmethyl)-amide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 668.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 357.8±31.5 °C
Index of Refraction: 1.616
Molar Refractivity: 138.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.65
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 5.24
ACD/KOC (pH 5.5): 22.20
ACD/LogD (pH 7.4): 2.08
ACD/BCF (pH 7.4): 5.78
ACD/KOC (pH 7.4): 24.46
Polar Surface Area: 73 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 397.0±3.0 cm3

Click to predict properties on the Chemicalize site


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