ChemSpider 2D Image | 3-Benzyl-5-({[2-(1-benzyl-4-piperidinyl)ethyl]amino}methylene)-6-hydroxy-2,4(3H,5H)-pyrimidinedione | C26H30N4O3

3-Benzyl-5-({[2-(1-benzyl-4-piperidinyl)ethyl]amino}methylene)-6-hydroxy-2,4(3H,5H)-pyrimidinedione

  • Molecular FormulaC26H30N4O3
  • Average mass446.541 Da
  • Monoisotopic mass446.231781 Da
  • ChemSpider ID35381656

More details:

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

2,4(3H,5H)-Pyrimidinedione, 6-hydroxy-3-(phenylmethyl)-5-[[[2-[1-(phenylmethyl)-4-piperidinyl]ethyl]amino]methylene]- [ACD/Index Name]
3-Benzyl-5-({[2-(1-benzyl-4-piperidinyl)ethyl]amino}methylen)-6-hydroxy-2,4(3H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
3-Benzyl-5-({[2-(1-benzyl-4-piperidinyl)ethyl]amino}methylene)-6-hydroxy-2,4(3H,5H)-pyrimidinedione [ACD/IUPAC Name]
3-Benzyl-5-({[2-(1-benzyl-4-pipéridinyl)éthyl]amino}méthylène)-6-hydroxy-2,4(3H,5H)-pyrimidinedione [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: 601.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 317.8±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 128.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.45
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.40
Polar Surface Area: 85 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 359.5±7.0 cm3

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