ChemSpider 2D Image | 5-Chloro-4-[({1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]-2-methoxyphenol | C20H20ClF2N3O2

5-Chloro-4-[({1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]-2-methoxyphenol

  • Molecular FormulaC20H20ClF2N3O2
  • Average mass407.841 Da
  • Monoisotopic mass407.121216 Da
  • ChemSpider ID22206577

More details:

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

5-Chlor-4-[({1-[1-(2,4-difluorphenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]-2-methoxyphenol [German] [ACD/IUPAC Name]
5-Chloro-4-[({1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl}amino)methyl]-2-methoxyphenol [ACD/IUPAC Name]
5-Chloro-4-[({1-[1-(2,4-difluorophényl)-5-méthyl-1H-pyrazol-4-yl]éthyl}amino)méthyl]-2-méthoxyphénol [French] [ACD/IUPAC Name]
Phenol, 5-chloro-4-[[[1-[1-(2,4-difluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]amino]methyl]-2-methoxy- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 264.8±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 103.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 16.75
ACD/KOC (pH 5.5): 80.41
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 557.84
ACD/KOC (pH 7.4): 2677.40
Polar Surface Area: 59 Å2
Polarizability: 40.9±0.5 10-24cm3
Surface Tension: 39.9±7.0 dyne/cm
Molar Volume: 305.4±7.0 cm3

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