ChemSpider 2D Image | (4aR,8aS)-1-(2-Cyclohexylethyl)-6-[4-(1-piperidinyl)benzoyl]octahydro-1,6-naphthyridin-2(1H)-one | C28H41N3O2

(4aR,8aS)-1-(2-Cyclohexylethyl)-6-[4-(1-piperidinyl)benzoyl]octahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC28H41N3O2
  • Average mass451.644 Da
  • Monoisotopic mass451.319885 Da
  • ChemSpider ID22867214

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aS)-1-(2-Cyclohexylethyl)-6-[4-(1-piperidinyl)benzoyl]octahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
(4aR,8aS)-1-(2-Cyclohexylethyl)-6-[4-(1-piperidinyl)benzoyl]octahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
(4aR,8aS)-1-(2-Cyclohexyléthyl)-6-[4-(1-pipéridinyl)benzoyl]octahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, 1-(2-cyclohexylethyl)octahydro-6-[4-(1-piperidinyl)benzoyl]-, (4aR,8aS)- [ACD/Index Name]
(4aR*,8aS*)-1-(2-cyclohexylethyl)-6-[4-(1-piperidinyl)benzoyl]octahydro-1,6-naphthyridin-2(1H)-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: 662.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.4±3.0 kJ/mol
Flash Point: 283.3±23.9 °C
Index of Refraction: 1.561
Molar Refractivity: 131.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4144.27
ACD/KOC (pH 5.5): 13193.51
ACD/LogD (pH 7.4): 5.11
ACD/BCF (pH 7.4): 4510.88
ACD/KOC (pH 7.4): 14360.65
Polar Surface Area: 44 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 406.4±3.0 cm3

Click to predict properties on the Chemicalize site


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