ChemSpider 2D Image | GSK 172981 | C26H22FN3O

GSK 172981

  • Molecular FormulaC26H22FN3O
  • Average mass411.471 Da
  • Monoisotopic mass411.174683 Da
  • ChemSpider ID24699837

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-Amino-N-[(S)-cyclopropyl(phényl)méthyl]-2-(3-fluorophényl)-4-quinoléinecarboxamide [French] [ACD/IUPAC Name]
3-Amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorophenyl)-4-quinolinecarboxamide [ACD/IUPAC Name]
3-Amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorphenyl)-4-chinolincarboxamid [German] [ACD/IUPAC Name]
4-Quinolinecarboxamide, 3-amino-N-[(S)-cyclopropylphenylmethyl]-2-(3-fluorophenyl)- [ACD/Index Name]
GSK 172981
1133705-99-3 [RN]
3-amino-N-[(S)-cyclopropyl(phenyl)methyl]-2-(3-fluorophenyl)quinoline-4-carboxamide
GSK172981
GSK-172981
GSK-172981|GSK172981
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 603.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.8±3.0 kJ/mol
Flash Point: 319.1±31.5 °C
Index of Refraction: 1.691
Molar Refractivity: 121.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.03
ACD/LogD (pH 5.5): 4.97
ACD/BCF (pH 5.5): 3509.21
ACD/KOC (pH 5.5): 11991.81
ACD/LogD (pH 7.4): 4.97
ACD/BCF (pH 7.4): 3519.50
ACD/KOC (pH 7.4): 12026.97
Polar Surface Area: 68 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 316.1±3.0 cm3

Click to predict properties on the Chemicalize site


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