ChemSpider 2D Image | 1-(1-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-(3-pyridinyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone | C36H42N6O

1-(1-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-(3-pyridinyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone

  • Molecular FormulaC36H42N6O
  • Average mass574.758 Da
  • Monoisotopic mass574.341980 Da
  • ChemSpider ID122012796

More details:

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

1-(1-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-(3-pyridinyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanon [German] [ACD/IUPAC Name]
1-(1-{6-[4-(2-Methylbenzyl)-1-piperazinyl]-2-(3-pyridinyl)-4-pyrimidinyl}-3-piperidinyl)-4-phenyl-1-butanone [ACD/IUPAC Name]
1-(1-{6-[4-(2-Méthylbenzyl)-1-pipérazinyl]-2-(3-pyridinyl)-4-pyrimidinyl}-3-pipéridinyl)-4-phényl-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[1-[6-[4-[(2-methylphenyl)methyl]-1-piperazinyl]-2-(3-pyridinyl)-4-pyrimidinyl]-3-piperidinyl]-4-phenyl- [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: 709.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.8±3.0 kJ/mol
Flash Point: 383.1±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 170.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 14.81
ACD/KOC (pH 5.5): 40.48
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 64.99
ACD/KOC (pH 7.4): 177.66
Polar Surface Area: 65 Å2
Polarizability: 67.7±0.5 10-24cm3
Surface Tension: 54.6±3.0 dyne/cm
Molar Volume: 489.5±3.0 cm3

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