ChemSpider 2D Image | Ethyl 3-(2,4-difluorobenzyl)-1-(3-isoquinolinylcarbonyl)-3-piperidinecarboxylate | C25H24F2N2O3

Ethyl 3-(2,4-difluorobenzyl)-1-(3-isoquinolinylcarbonyl)-3-piperidinecarboxylate

  • Molecular FormulaC25H24F2N2O3
  • Average mass438.466 Da
  • Monoisotopic mass438.175507 Da
  • ChemSpider ID22127124

More details:

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

3-(2,4-Difluorobenzyl)-1-(3-isoquinoléinylcarbonyl)-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 3-[(2,4-difluorophenyl)methyl]-1-(3-isoquinolinylcarbonyl)-, ethyl ester [ACD/Index Name]
Ethyl 3-(2,4-difluorobenzyl)-1-(3-isoquinolinylcarbonyl)-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-3-(2,4-difluorbenzyl)-1-(3-isochinolinylcarbonyl)-3-piperidincarboxylat [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: 579.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 304.4±30.1 °C
Index of Refraction: 1.601
Molar Refractivity: 116.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.13
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1149.26
ACD/KOC (pH 5.5): 5370.92
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1169.63
ACD/KOC (pH 7.4): 5466.12
Polar Surface Area: 60 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 52.2±3.0 dyne/cm
Molar Volume: 341.1±3.0 cm3

Click to predict properties on the Chemicalize site


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