ChemSpider 2D Image | (4aR,8aS)-1-(4-Fluorobenzyl)-6-(1-naphthylmethyl)octahydro-1,6-naphthyridin-2(1H)-one | C26H27FN2O

(4aR,8aS)-1-(4-Fluorobenzyl)-6-(1-naphthylmethyl)octahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC26H27FN2O
  • Average mass402.504 Da
  • Monoisotopic mass402.210754 Da
  • ChemSpider ID23045286

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-1-(4-Fluorbenzyl)-6-(1-naphthylmethyl)octahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
(4aR,8aS)-1-(4-Fluorobenzyl)-6-(1-naphthylmethyl)octahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
(4aR,8aS)-1-(4-Fluorobenzyl)-6-(1-naphtylméthyl)octahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, 1-[(4-fluorophenyl)methyl]octahydro-6-(1-naphthalenylmethyl)-, (4aR,8aS)- [ACD/Index Name]
(4aR*,8aS*)-1-(4-fluorobenzyl)-6-(1-naphthylmethyl)octahydro-1,6-naphthyridin-2(1H)-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: 587.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 118.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 2.36
ACD/BCF (pH 5.5): 9.19
ACD/KOC (pH 5.5): 33.00
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 462.35
ACD/KOC (pH 7.4): 1659.60
Polar Surface Area: 24 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 332.0±3.0 cm3

Click to predict properties on the Chemicalize site


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