ChemSpider 2D Image | (4aR,8aS)-6-(3-Methylbenzyl)-1-[4-(trifluoromethyl)benzyl]octahydro-1,6-naphthyridin-2(1H)-one | C24H27F3N2O

(4aR,8aS)-6-(3-Methylbenzyl)-1-[4-(trifluoromethyl)benzyl]octahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC24H27F3N2O
  • Average mass416.479 Da
  • Monoisotopic mass416.207550 Da
  • ChemSpider ID22866886

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-6-(3-Methylbenzyl)-1-[4-(trifluormethyl)benzyl]octahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
(4aR,8aS)-6-(3-Methylbenzyl)-1-[4-(trifluoromethyl)benzyl]octahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
(4aR,8aS)-6-(3-Méthylbenzyl)-1-[4-(trifluorométhyl)benzyl]octahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, octahydro-6-[(3-methylphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-, (4aR,8aS)- [ACD/Index Name]
(4aR*,8aS*)-6-(3-methylbenzyl)-1-[4-(trifluoromethyl)benzyl]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: 525.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 271.8±30.1 °C
Index of Refraction: 1.556
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 7.07
ACD/KOC (pH 5.5): 22.67
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 270.16
ACD/KOC (pH 7.4): 866.27
Polar Surface Area: 24 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 343.4±3.0 cm3

Click to predict properties on the Chemicalize site


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