ChemSpider 2D Image | 7-[(1R,5S,6s)-6-{[(2S)-1-{[(2S)-2-Aminopropanoyl]amino}-1-oxo-2-propanyl]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 (non- preferred name) | C26H25F3N6O5

7-[(1R,5S,6s)-6-{[(2S)-1-{[(2S)-2-Aminopropanoyl]amino}-1-oxo-2-propanyl]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 (non- preferred name)

  • Molecular FormulaC26H25F3N6O5
  • Average mass558.509 Da
  • Monoisotopic mass558.183838 Da
  • ChemSpider ID30805157

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,8-Naphthyridine-3-carboxylic acid, 7-[(1R,5S)-6-[[(1S)-2-[[(2S)-2-amino-1-oxopropyl]amino]-1-methyl-2-oxoethyl]amino]-3-azabicyclo[3.1.0]hex-3-yl]-1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-4-oxo- [ACD/Index Name]
7-[(1R,5S,6s)-6-{[(2S)-1-{[(2S)-2-Aminopropanoyl]amino}-1-oxo-2-propanyl]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 (non- preferred name) [ACD/IUPAC Name]
7-[(1R,5S,6s)-6-{[(2S)-1-{[(2S)-2-Aminopropanoyl]amino}-1-oxo-2-propanyl]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 (non-preferr ed name) [German] [ACD/IUPAC Name]
Acide 7-[(1R,5S,6s)-6-{[(2S)-1-{[(2S)-2-aminopropanoyl]amino}-1-oxo-2-propanyl]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 (no n-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 775.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 118.3±3.0 kJ/mol
Flash Point: 422.5±32.9 °C
Index of Refraction: 1.673
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -1.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 77.7±5.0 dyne/cm
Molar Volume: 355.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement