ChemSpider 2D Image | {4-[Benzyl(3,4-dichlorobenzyl)amino]-1-piperidinyl}[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone | C28H27Cl2N5O

{4-[Benzyl(3,4-dichlorobenzyl)amino]-1-piperidinyl}[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone

  • Molecular FormulaC28H27Cl2N5O
  • Average mass520.453 Da
  • Monoisotopic mass519.159241 Da
  • ChemSpider ID90624975

More details:

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

{4-[Benzyl(3,4-dichlorbenzyl)amino]-1-piperidinyl}[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanon [German] [ACD/IUPAC Name]
{4-[Benzyl(3,4-dichlorobenzyl)amino]-1-piperidinyl}[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone [ACD/IUPAC Name]
{4-[Benzyl(3,4-dichlorobenzyl)amino]-1-pipéridinyl}[6-(1H-pyrazol-1-yl)-3-pyridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [4-[[(3,4-dichlorophenyl)methyl](phenylmethyl)amino]-1-piperidinyl][6-(1H-pyrazol-1-yl)-3-pyridinyl]- [ACD/Index 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: 669.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.4±3.0 kJ/mol
Flash Point: 358.9±31.5 °C
Index of Refraction: 1.660
Molar Refractivity: 146.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 347.22
ACD/KOC (pH 5.5): 1389.40
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1904.04
ACD/KOC (pH 7.4): 7618.94
Polar Surface Area: 54 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 51.7±7.0 dyne/cm
Molar Volume: 397.9±7.0 cm3

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