ChemSpider 2D Image | 2-(1-Azepanylmethyl)-5-[(2-chloro-6-fluorobenzyl)oxy]-1-(5-hydroxypentyl)-4(1H)-pyridinone | C24H32ClFN2O3

2-(1-Azepanylmethyl)-5-[(2-chloro-6-fluorobenzyl)oxy]-1-(5-hydroxypentyl)-4(1H)-pyridinone

  • Molecular FormulaC24H32ClFN2O3
  • Average mass450.974 Da
  • Monoisotopic mass450.208557 Da
  • ChemSpider ID123562568

More details:

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

2-(1-Azepanylmethyl)-5-[(2-chlor-6-fluorbenzyl)oxy]-1-(5-hydroxypentyl)-4(1H)-pyridinon [German] [ACD/IUPAC Name]
2-(1-Azepanylmethyl)-5-[(2-chloro-6-fluorobenzyl)oxy]-1-(5-hydroxypentyl)-4(1H)-pyridinone [ACD/IUPAC Name]
2-(1-Azépanylméthyl)-5-[(2-chloro-6-fluorobenzyl)oxy]-1-(5-hydroxypentyl)-4(1H)-pyridinone [French] [ACD/IUPAC Name]
4(1H)-Pyridinone, 5-[(2-chloro-6-fluorophenyl)methoxy]-2-[(hexahydro-1H-azepin-1-yl)methyl]-1-(5-hydroxypentyl)- [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: 588.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.3±3.0 kJ/mol
Flash Point: 309.5±30.1 °C
Index of Refraction: 1.587
Molar Refractivity: 121.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.34
ACD/LogD (pH 7.4): 2.69
ACD/BCF (pH 7.4): 38.06
ACD/KOC (pH 7.4): 250.33
Polar Surface Area: 53 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 361.2±5.0 cm3

Click to predict properties on the Chemicalize site


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