ChemSpider 2D Image | Enasidenib | C19H17F6N7O

Enasidenib

  • Molecular FormulaC19H17F6N7O
  • Average mass473.375 Da
  • Monoisotopic mass473.139862 Da
  • ChemSpider ID38772329

More details:






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

10162
1446502-11-9 [RN]
2-Methyl-1-[(4-[6-(trifluormethyl)-2-pyridinyl]-6-{[2-(trifluormethyl)-4-pyridinyl]amino}-1,3,5-triazin-2-yl)amino]-2-propanol [German] [ACD/IUPAC Name]
2-Methyl-1-[(4-[6-(trifluoromethyl)-2-pyridinyl]-6-{[2-(trifluoromethyl)-4-pyridinyl]amino}-1,3,5-triazin-2-yl)amino]-2-propanol [ACD/IUPAC Name]
2-Méthyl-1-[(4-[6-(trifluorométhyl)-2-pyridinyl]-6-{[2-(trifluorométhyl)-4-pyridinyl]amino}-1,3,5-triazin-2-yl)amino]-2-propanol [French] [ACD/IUPAC Name]
2-Propanol, 2-methyl-1-[[4-[6-(trifluoromethyl)-2-pyridinyl]-6-[[2-(trifluoromethyl)-4-pyridinyl]amino]-1,3,5-triazin-2-yl]amino]- [ACD/Index Name]
3T1SS4E7AG
AG-221
CC-90007
enasidenib [Spanish] [INN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 581.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 305.2±32.9 °C
Index of Refraction: 1.573
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.24
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 400.66
ACD/KOC (pH 5.5): 2538.53
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 400.94
ACD/KOC (pH 7.4): 2540.31
Polar Surface Area: 109 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

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