ChemSpider 2D Image | 1-[2-(2-Chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone | C27H31ClN4O3

1-[2-(2-Chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone

  • Molecular FormulaC27H31ClN4O3
  • Average mass495.013 Da
  • Monoisotopic mass494.208466 Da
  • ChemSpider ID22166362

More details:

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

1-[2-(2-Chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinone [ACD/IUPAC Name]
1-[2-(2-Chlorophényl)éthyl]-2-(méthoxyméthyl)-6-méthyl-3-{[4-(2-pyridinylméthyl)-1-pipérazinyl]carbonyl}-4(1H)-pyridinone [French] [ACD/IUPAC Name]
1-[2-(2-Chlorphenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-4(1H)-pyridinon [German] [ACD/IUPAC Name]
4(1H)-Pyridinone, 1-[2-(2-chlorophenyl)ethyl]-2-(methoxymethyl)-6-methyl-3-[[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl]- [ACD/Index Name]
1-[2-(2-CHLOROPHENYL)ETHYL]-2-(METHOXYMETHYL)-6-METHYL-3-[4-(PYRIDIN-2-YLMETHYL)PIPERAZINE-1-CARBONYL]PYRIDIN-4-ONE

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 347.0±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 135.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.42
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 13.35
ACD/KOC (pH 5.5): 176.58
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.60
ACD/KOC (pH 7.4): 391.63
Polar Surface Area: 66 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 52.4±3.0 dyne/cm
Molar Volume: 396.1±3.0 cm3

Click to predict properties on the Chemicalize site


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