ChemSpider 2D Image | Ilginatinib | C21H20FN7

Ilginatinib

  • Molecular FormulaC21H20FN7
  • Average mass389.429 Da
  • Monoisotopic mass389.176422 Da
  • ChemSpider ID64880076

More details:






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

2,6-Pyridinediamine, N2-[1-(4-fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl- [ACD/Index Name]
Ilginatinib
N-[1-(4-Fluorophenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N'-(2-pyrazinyl)-2,6-pyridinediamine [ACD/IUPAC Name]
N-[1-(4-Fluorophényl)éthyl]-4-(1-méthyl-1H-pyrazol-4-yl)-N'-(2-pyrazinyl)-2,6-pyridinediamine [French] [ACD/IUPAC Name]
N-[1-(4-Fluorphenyl)ethyl]-4-(1-methyl-1H-pyrazol-4-yl)-N'-(2-pyrazinyl)-2,6-pyridindiamin [German] [ACD/IUPAC Name]
1239358-86-1 [RN]
56R994WX4L
MFCD28502056
NS-018

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 574.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 301.0±30.1 °C
Index of Refraction: 1.671
Molar Refractivity: 110.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 634.49
ACD/KOC (pH 5.5): 3527.15
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 635.29
ACD/KOC (pH 7.4): 3531.57
Polar Surface Area: 81 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 48.8±7.0 dyne/cm
Molar Volume: 296.6±7.0 cm3

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