ChemSpider 2D Image | 2-Ethyl-6-methyl-3-[(4-phenyl-1-azepanyl)carbonyl]-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone | C28H39N3O2

2-Ethyl-6-methyl-3-[(4-phenyl-1-azepanyl)carbonyl]-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID22210996

More details:

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

2-Ethyl-6-methyl-3-[(4-phenyl-1-azepanyl)carbonyl]-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-Ethyl-6-methyl-3-[(4-phenyl-1-azepanyl)carbonyl]-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone [ACD/IUPAC Name]
2-Éthyl-6-méthyl-3-[(4-phényl-1-azépanyl)carbonyl]-1-[2-(1-pipéridinyl)éthyl]-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 2-ethyl-3-[(hexahydro-4-phenyl-1H-azepin-1-yl)carbonyl]-6-methyl-1-[2-(1-piperidinyl)ethyl]- [ACD/Index Name]
2-ETHYL-6-METHYL-3-(4-PHENYLAZEPANE-1-CARBONYL)-1-[2-(PIPERIDIN-1-YL)ETHYL]PYRIDIN-4-ONE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 622.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 255.2±23.9 °C
Index of Refraction: 1.558
Molar Refractivity: 132.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.70
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 29.49
ACD/KOC (pH 7.4): 173.90
Polar Surface Area: 44 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 410.0±3.0 cm3

Click to predict properties on the Chemicalize site


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