ChemSpider 2D Image | 5-fluoro AKB48 | C23H30FN3O

5-fluoro AKB48

  • Molecular FormulaC23H30FN3O
  • Average mass383.502 Da
  • Monoisotopic mass383.237305 Da
  • ChemSpider ID29342122

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1400742-13-3 [RN]
1H-Indazole-3-carboxamide, 1-(5-fluoropentyl)-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
5-fluoro AKB48
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluoropentyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluoropentyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(5-fluorpentyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
1- (5-fluoropentyl)-N-tricyclo [3.3.1.13,7] dec-1-yl-1H-indazole-3-carboxamide [ACD/IUPAC Name]
5F-AKB48 [ACD/IUPAC Name]
AKB48
AKB48 N-(5-fluoropentyl) analog
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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: 584.9±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.4±3.0 kJ/mol
Flash Point: 307.6±24.6 °C
Index of Refraction: 1.673
Molar Refractivity: 107.1±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1399.50
ACD/KOC (pH 5.5): 6215.64
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1399.48
ACD/KOC (pH 7.4): 6215.54
Polar Surface Area: 47 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 285.9±7.0 cm3

Click to predict properties on the Chemicalize site


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