ChemSpider 2D Image | 2-[4-(Benzyl{1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl-1,4'-bipiperidin-4-yl}amino)phenyl]-2-methyl-1-(4-morpholinyl)-1-propanone | C39H52N6O3

2-[4-(Benzyl{1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl-1,4'-bipiperidin-4-yl}amino)phenyl]-2-methyl-1-(4-morpholinyl)-1-propanone

  • Molecular FormulaC39H52N6O3
  • Average mass652.869 Da
  • Monoisotopic mass652.410095 Da
  • ChemSpider ID9608617

More details:

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

1-Propanone, 2-[4-[[1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl[1,4'-bipiperidin]-4-yl](phenylmethyl)amino]phenyl]-2-methyl-1-(4-morpholinyl)- [ACD/Index Name]
2-[4-(Benzyl{1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl-1,4'-bipiperidin-4-yl}amino)phenyl]-2-methyl-1-(4-morpholinyl)-1-propanon [German] [ACD/IUPAC Name]
2-[4-(Benzyl{1'-[(4,6-dimethyl-5-pyrimidinyl)carbonyl]-4'-methyl-1,4'-bipiperidin-4-yl}amino)phenyl]-2-methyl-1-(4-morpholinyl)-1-propanone [ACD/IUPAC Name]
2-[4-(Benzyl{1'-[(4,6-diméthyl-5-pyrimidinyl)carbonyl]-4'-méthyl-1,4'-bipipéridin-4-yl}amino)phényl]-2-méthyl-1-(4-morpholinyl)-1-propanone [French] [ACD/IUPAC 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: 820.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.2±3.0 kJ/mol
Flash Point: 449.9±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 189.7±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.04
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 19.11
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 227.47
ACD/KOC (pH 7.4): 892.35
Polar Surface Area: 82 Å2
Polarizability: 75.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 552.2±3.0 cm3

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