ChemSpider 2D Image | Ensartinib | C26H27Cl2FN6O3

Ensartinib

  • Molecular FormulaC26H27Cl2FN6O3
  • Average mass561.435 Da
  • Monoisotopic mass560.150574 Da
  • ChemSpider ID58828042
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

10339
1370651-20-9 [RN]
3-Pyridazinecarboxamide, 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-[[(3R,5S)-3,5-dimethyl-1-piperazinyl]carbonyl]phenyl]- [ACD/Index Name]
6-Amino-5-[(1R)-1-(2,6-dichlor-3-fluorphenyl)ethoxy]-N-(4-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]carbonyl}phenyl)-3-pyridazincarboxamid [German] [ACD/IUPAC Name]
6-Amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(4-{[(3R,5S)-3,5-dimethyl-1-piperazinyl]carbonyl}phenyl)-3-pyridazinecarboxamide [ACD/IUPAC Name]
6-Amino-5-[(1R)-1-(2,6-dichloro-3-fluorophényl)éthoxy]-N-(4-{[(3R,5S)-3,5-diméthyl-1-pipérazinyl]carbonyl}phényl)-3-pyridazinecarboxamide [French] [ACD/IUPAC Name]
ensartinib [Spanish] [INN]
ensartinib [French] [INN]
Ensartinib [INN]
ensartinibum [Latin] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 708.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.6±3.0 kJ/mol
Flash Point: 382.0±32.9 °C
Index of Refraction: 1.629
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 1.81
ACD/BCF (pH 5.5): 3.85
ACD/KOC (pH 5.5): 19.83
ACD/LogD (pH 7.4): 3.51
ACD/BCF (pH 7.4): 194.60
ACD/KOC (pH 7.4): 1003.65
Polar Surface Area: 122 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 408.2±3.0 cm3

Click to predict properties on the Chemicalize site






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