ChemSpider 2D Image | 7-(6-{[(2E)-2-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]imino}-1-hydroxypropyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | C26H25F3N6O5

7-(6-{[(2E)-2-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]imino}-1-hydroxypropyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

  • Molecular FormulaC26H25F3N6O5
  • Average mass558.509 Da
  • Monoisotopic mass558.183838 Da
  • ChemSpider ID95637452

  • Double-bond stereo - Double-bond stereo

More details:

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

1,8-Naphthyridine-3-carboxylic acid, 7-[6-[[(2E)-2-[[(1E)-2-amino-1-hydroxy-1-propen-1-yl]imino]-1-hydroxypropyl]amino]-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-(6-{[(2E)-2-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]imino}-1-hydroxypropyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid [ACD/IUPAC Name]
7-(6-{[(2E)-2-{[(1E)-2-Amino-1-hydroxy-1-propen-1-yl]imino}-1-hydroxypropyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorphenyl)-6-fluor-4-oxo-1,4-dihydro-1,8-naphthyridin-3-carbonsäure [German] [ACD/IUPAC Name]
Acide 7-(6-{[(2E)-2-{[(1E)-2-amino-1-hydroxy-1-propén-1-yl]imino}-1-hydroxypropyl]amino}-3-azabicyclo[3.1.0]hex-3-yl)-1-(2,4-difluorophényl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphtyridine-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 756.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.6±3.0 kJ/mol
Flash Point: 411.3±32.9 °C
Index of Refraction: 1.722
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.43
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 333.6±7.0 cm3

Click to predict properties on the Chemicalize site


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