ChemSpider 2D Image | 3-[(4-Benzyl-1-piperazinyl)carbonyl]-6-methyl-2-(2-phenylethyl)-1-(tetrahydro-2-furanylmethyl)-4(1H)-pyridinone | C31H37N3O3

3-[(4-Benzyl-1-piperazinyl)carbonyl]-6-methyl-2-(2-phenylethyl)-1-(tetrahydro-2-furanylmethyl)-4(1H)-pyridinone

  • Molecular FormulaC31H37N3O3
  • Average mass499.644 Da
  • Monoisotopic mass499.283478 Da
  • ChemSpider ID22212799

More details:

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

3-[(4-Benzyl-1-piperazinyl)carbonyl]-6-methyl-2-(2-phenylethyl)-1-(tetrahydro-2-furanylmethyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
3-[(4-Benzyl-1-piperazinyl)carbonyl]-6-methyl-2-(2-phenylethyl)-1-(tetrahydro-2-furanylmethyl)-4(1H)-pyridinone [ACD/IUPAC Name]
3-[(4-Benzyl-1-pipérazinyl)carbonyl]-6-méthyl-2-(2-phényléthyl)-1-(tétrahydro-2-furanylméthyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 6-methyl-2-(2-phenylethyl)-3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-1-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
3-(4-BENZYLPIPERAZINE-1-CARBONYL)-6-METHYL-1-(OXOLAN-2-YLMETHYL)-2-(2-PHENYLETHYL)PYRIDIN-4-ONE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 673.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 144.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.31
ACD/BCF (pH 5.5): 21.69
ACD/KOC (pH 5.5): 188.38
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 124.19
ACD/KOC (pH 7.4): 1078.58
Polar Surface Area: 53 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 50.7±3.0 dyne/cm
Molar Volume: 420.4±3.0 cm3

Click to predict properties on the Chemicalize site


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