ChemSpider 2D Image | (4aS,8aR)-6-(5-Fluoro-2-pyrimidinyl)-1-[2-(1H-imidazol-4-yl)ethyl]octahydro-1,6-naphthyridin-2(1H)-one | C17H21FN6O

(4aS,8aR)-6-(5-Fluoro-2-pyrimidinyl)-1-[2-(1H-imidazol-4-yl)ethyl]octahydro-1,6-naphthyridin-2(1H)-one

  • Molecular FormulaC17H21FN6O
  • Average mass344.387 Da
  • Monoisotopic mass344.176086 Da
  • ChemSpider ID29727405

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aS,8aR)-6-(5-Fluor-2-pyrimidinyl)-1-[2-(1H-imidazol-4-yl)ethyl]octahydro-1,6-naphthyridin-2(1H)-on [German] [ACD/IUPAC Name]
(4aS,8aR)-6-(5-Fluoro-2-pyrimidinyl)-1-[2-(1H-imidazol-4-yl)ethyl]octahydro-1,6-naphthyridin-2(1H)-one [ACD/IUPAC Name]
(4aS,8aR)-6-(5-Fluoro-2-pyrimidinyl)-1-[2-(1H-imidazol-4-yl)éthyl]octahydro-1,6-naphtyridin-2(1H)-one [French] [ACD/IUPAC Name]
1,6-Naphthyridin-2(1H)-one, 6-(5-fluoro-2-pyrimidinyl)octahydro-1-[2-(1H-imidazol-4-yl)ethyl]-, (4aS,8aR)- [ACD/Index Name]
(4aS*,8aR*)-6-(5-fluoropyrimidin-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]octahydro-1,6-naphthyridin-2(1H)-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 663.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 355.2±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.82
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 4.89
ACD/KOC (pH 7.4): 90.11
Polar Surface Area: 78 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 60.0±3.0 dyne/cm
Molar Volume: 261.7±3.0 cm3

Click to predict properties on the Chemicalize site


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