ChemSpider 2D Image | 6-[({1-[(1S)-2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one | C26H28FN5O5

6-[({1-[(1S)-2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one

  • Molecular FormulaC26H28FN5O5
  • Average mass509.529 Da
  • Monoisotopic mass509.207458 Da
  • ChemSpider ID34249275

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

2H-Pyrido[3,2-b]-1,4-oxazin-3(4H)-one, 6-[[[1-[(1S)-2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl]amino]methyl]- [ACD/Index Name]
6-[({(1r,4S)-1-[(1S)-2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one [ACD/IUPAC Name]
6-[({1-[(1S)-2-(3-Fluor-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-on [German] [ACD/IUPAC Name]
6-[({1-[(1S)-2-(3-Fluoro-6-methoxy-1,5-naphthyridin-4-yl)-1-hydroxyethyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)methyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one [ACD/IUPAC Name]
6-[({1-[(1S)-2-(3-Fluoro-6-méthoxy-1,5-naphtyridin-4-yl)-1-hydroxyéthyl]-2-oxabicyclo[2.2.2]oct-4-yl}amino)méthyl]-2H-pyrido[3,2-b][1,4]oxazin-3(4H)-one [French] [ACD/IUPAC Name]
AM8191

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

Density: 1.5±0.1 g/cm3
Boiling Point: 730.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 395.8±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 130.8±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.73
ACD/LogD (pH 7.4): 1.54
ACD/BCF (pH 7.4): 8.38
ACD/KOC (pH 7.4): 151.26
Polar Surface Area: 128 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 77.1±5.0 dyne/cm
Molar Volume: 348.9±5.0 cm3

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