ChemSpider 2D Image | 2-Ethyl-1-(4-methoxybenzyl)-6-methyl-3-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone | C31H37N3O3

2-Ethyl-1-(4-methoxybenzyl)-6-methyl-3-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone

  • Molecular FormulaC31H37N3O3
  • Average mass499.644 Da
  • Monoisotopic mass499.283478 Da
  • ChemSpider ID22224599

More details:

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

2-Éthyl-1-(4-méthoxybenzyl)-6-méthyl-3-{[4-(1,2,3,4-tétrahydro-2-naphtalényl)-1-pipérazinyl]carbonyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]
2-Ethyl-1-(4-methoxybenzyl)-6-methyl-3-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone [ACD/IUPAC Name]
2-Ethyl-1-(4-methoxybenzyl)-6-methyl-3-{[4-(1,2,3,4-tetrahydro-2-naphthalinyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-ethyl-1-[(4-methoxyphenyl)methyl]-6-methyl-3-[[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl]- [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: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.2±3.0 kJ/mol
Flash Point: 366.9±31.5 °C
Index of Refraction: 1.607
Molar Refractivity: 145.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.56
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 10.08
ACD/KOC (pH 5.5): 67.75
ACD/LogD (pH 7.4): 3.46
ACD/BCF (pH 7.4): 232.25
ACD/KOC (pH 7.4): 1560.50
Polar Surface Area: 53 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 420.2±3.0 cm3

Click to predict properties on the Chemicalize site


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