Found 138 results

Search term: MF = 'C_{22}H_{23}FN_{6}OS'
ChemSpider 2D Image | N-{[3-(3-Fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-1,2,3-triazol-4-ylsulfanyl)ethanamine | C22H23FN6OS

N-{[3-(3-Fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-1,2,3-triazol-4-ylsulfanyl)ethanamine

  • Molecular FormulaC22H23FN6OS
  • Average mass438.521 Da
  • Monoisotopic mass438.163818 Da
  • ChemSpider ID22125808

More details:

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

1H-Pyrazole-4-methanamine, 3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-N-[2-(1H-1,2,3-triazol-5-ylthio)ethyl]- [ACD/Index Name]
N-{[3-(3-Fluor-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-1,2,3-triazol-4-ylsulfanyl)ethanamin [German] [ACD/IUPAC Name]
N-{[3-(3-Fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-1,2,3-triazol-4-ylsulfanyl)ethanamine [ACD/IUPAC Name]
N-{[3-(3-Fluoro-4-méthoxyphényl)-1-(2-méthylphényl)-1H-pyrazol-4-yl]méthyl}-2-(1H-1,2,3-triazol-4-ylsulfanyl)éthanamine [French] [ACD/IUPAC Name]
N-{[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-1,2,3-triazol-5-ylthio)ethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 673.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 361.3±31.5 °C
Index of Refraction: 1.662
Molar Refractivity: 121.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 2.40
ACD/KOC (pH 5.5): 17.28
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 67.62
ACD/KOC (pH 7.4): 487.44
Polar Surface Area: 106 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 328.9±7.0 cm3

Click to predict properties on the Chemicalize site


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