ChemSpider 2D Image | (4aR,8aS)-6-(2,4-Difluorobenzyl)-1-(3,4,5-trimethoxybenzyl)octahydro-1,6-naphthyridin-2(1H)-one | C25H30F2N2O4

(4aR,8aS)-6-(2,4-Difluorobenzyl)-1-(3,4,5-trimethoxybenzyl)octahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC25H30F2N2O4
  • Average mass460.513 Da
  • Monoisotopic mass460.217377 Da
  • ChemSpider ID52615182

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-6-(2,4-Difluorbenzyl)-1-(3,4,5-trimethoxybenzyl)octahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
(4aR,8aS)-6-(2,4-Difluorobenzyl)-1-(3,4,5-trimethoxybenzyl)octahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
(4aR,8aS)-6-(2,4-Difluorobenzyl)-1-(3,4,5-triméthoxybenzyl)octahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, 6-[(2,4-difluorophenyl)methyl]octahydro-1-[(3,4,5-trimethoxyphenyl)methyl]-, (4aR,8aS)- [ACD/Index Name]
(4aR*,8aS*)-6-(2,4-difluorobenzyl)-1-(3,4,5-trimethoxybenzyl)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: 580.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.6±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.18
ACD/BCF (pH 5.5): 1.46
ACD/KOC (pH 5.5): 11.54
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 66.96
ACD/KOC (pH 7.4): 529.64
Polar Surface Area: 51 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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