ChemSpider 2D Image | AKB48 N-(4-fluorobenzyl) analog | C25H26FN3O

AKB48 N-(4-fluorobenzyl) analog

  • Molecular FormulaC25H26FN3O
  • Average mass403.492 Da
  • Monoisotopic mass403.205994 Da
  • ChemSpider ID30922497

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Indazole-3-carboxamide, 1-[(4-fluorophenyl)methyl]-N-tricyclo[3.3.1.13,7]dec-1-yl- [ACD/Index Name]
AKB48 N-(4-fluorobenzyl) analog
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorbenzyl)-1H-indazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide [French] [ACD/IUPAC Name]
1-(4-fluorobenzyl)-N-(tricyclo[3.3.1.13,7]dek-1-yl)-1H-indazol-3-carboxamide) [ACD/IUPAC Name]
2180933-90-6 [RN]
FUB-AKB48
N-((3s,5s,7s)-adamantan-1-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 630.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.3±3.0 kJ/mol
Flash Point: 335.2±27.3 °C
Index of Refraction: 1.716
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.85
ACD/BCF (pH 5.5): 2844.47
ACD/KOC (pH 5.5): 10326.88
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 2844.42
ACD/KOC (pH 7.4): 10326.68
Polar Surface Area: 47 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 54.2±7.0 dyne/cm
Molar Volume: 289.4±7.0 cm3

Click to predict properties on the Chemicalize site


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