ChemSpider 2D Image | 1-(4-[(3-Chloro-4-fluorophenyl)amino]-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,5-triazin-2-yl)-3-azetidinol | C22H24ClFN6O3

1-(4-[(3-Chloro-4-fluorophenyl)amino]-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,5-triazin-2-yl)-3-azetidinol

  • Molecular FormulaC22H24ClFN6O3
  • Average mass474.916 Da
  • Monoisotopic mass474.158234 Da
  • ChemSpider ID124616642

More details:

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

1-(4-[(3-Chlor-4-fluorphenyl)amino]-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,5-triazin-2-yl)-3-azetidinol [German] [ACD/IUPAC Name]
1-(4-[(3-Chloro-4-fluorophenyl)amino]-6-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-1,3,5-triazin-2-yl)-3-azetidinol [ACD/IUPAC Name]
1-(4-[(3-Chloro-4-fluorophényl)amino]-6-{[2-(3,4-diméthoxyphényl)éthyl]amino}-1,3,5-triazin-2-yl)-3-azétidinol [French] [ACD/IUPAC Name]
3-Azetidinol, 1-[4-[(3-chloro-4-fluorophenyl)amino]-6-[[2-(3,4-dimethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 675.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.2±3.0 kJ/mol
Flash Point: 362.4±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 124.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 210.54
ACD/KOC (pH 5.5): 1563.55
ACD/LogD (pH 7.4): 3.41
ACD/BCF (pH 7.4): 229.06
ACD/KOC (pH 7.4): 1701.05
Polar Surface Area: 105 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 73.3±3.0 dyne/cm
Molar Volume: 329.8±3.0 cm3

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