ChemSpider 2D Image | {2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-6-methyl-3-pyridinyl}(3,4-dihydro-2(1H)-isoquinolinyl)methanone | C28H29F2N3O

{2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-6-methyl-3-pyridinyl}(3,4-dihydro-2(1H)-isoquinolinyl)methanone

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID22723326

More details:

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

{2-[1-(2,4-Difluorbenzyl)-4-piperidinyl]-6-methyl-3-pyridinyl}(3,4-dihydro-2(1H)-isochinolinyl)methanon [German] [ACD/IUPAC Name]
{2-[1-(2,4-Difluorobenzyl)-4-pipéridinyl]-6-méthyl-3-pyridinyl}(3,4-dihydro-2(1H)-isoquinoléinyl)méthanone [French] [ACD/IUPAC Name]
{2-[1-(2,4-Difluorobenzyl)-4-piperidinyl]-6-methyl-3-pyridinyl}(3,4-dihydro-2(1H)-isoquinolinyl)methanone [ACD/IUPAC Name]
Methanone, [2-[1-[(2,4-difluorophenyl)methyl]-4-piperidinyl]-6-methyl-3-pyridinyl](3,4-dihydro-2(1H)-isoquinolinyl)- [ACD/Index 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: 600.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 316.9±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 128.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 57.96
ACD/KOC (pH 5.5): 243.00
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1264.09
ACD/KOC (pH 7.4): 5299.61
Polar Surface Area: 36 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 372.8±3.0 cm3

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