ChemSpider 2D Image | 6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]-4-oxo-7-(3-pyridinylmethoxy)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid | C28H27ClFN3O5

6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]-4-oxo-7-(3-pyridinylmethoxy)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid

  • Molecular FormulaC28H27ClFN3O5
  • Average mass539.982 Da
  • Monoisotopic mass539.162354 Da
  • ChemSpider ID34540185

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,8-Naphthyridine-3-carboxylic acid, 6-[(3-chloro-2-fluorophenyl)methyl]-1,4-dihydro-1-[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]-4-oxo-7-(3-pyridinylmethoxy)- [ACD/Index Name]
6-(3-Chlor-2-fluorbenzyl)-1-[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]-4-oxo-7-(3-pyridinylmethoxy)-1,4-dihydro-1,8-naphthyridin-3-carbonsäure [German] [ACD/IUPAC Name]
6-(3-Chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]-4-oxo-7-(3-pyridinylmethoxy)-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid [ACD/IUPAC Name]
Acide 6-(3-chloro-2-fluorobenzyl)-1-[(2S)-1-hydroxy-3,3-diméthyl-2-butanyl]-4-oxo-7-(3-pyridinylméthoxy)-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: 1.4±0.1 g/cm3
Boiling Point: 725.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.2±3.0 kJ/mol
Flash Point: 392.4±32.9 °C
Index of Refraction: 1.623
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 872.08
ACD/KOC (pH 5.5): 3796.94
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 29.86
ACD/KOC (pH 7.4): 130.01
Polar Surface Area: 113 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 61.7±3.0 dyne/cm
Molar Volume: 393.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement