ChemSpider 2D Image | Abivertinib | C26H26FN7O2


  • Molecular FormulaC26H26FN7O2
  • Average mass487.529 Da
  • Monoisotopic mass487.213196 Da
  • ChemSpider ID57490375

More details:

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

1557267-42-1 [RN]
2-Propenamide, N-[3-[[2-[[3-fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]- [ACD/Index Name]
abivertinib [French] [INN]
abivertinib [Spanish] [INN]
Abivertinib [INN] [USAN]
abivertinibum [Latin] [INN]
N-{3-[(2-{[3-Fluor-4-(4-methyl-1-piperazinyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}acrylamid [German] [ACD/IUPAC Name]
N-{3-[(2-{[3-Fluoro-4-(4-methyl-1-piperazinyl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}acrylamide [ACD/IUPAC Name]
N-{3-[(2-{[3-Fluoro-4-(4-méthyl-1-pipérazinyl)phényl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phényl}acrylamide [French] [ACD/IUPAC Name]

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


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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.697
Molar Refractivity: 137.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 48.91
ACD/KOC (pH 7.4): 432.21
Polar Surface Area: 98 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 68.0±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

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