ChemSpider 2D Image | N-{[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamine | C22H23FN6OS

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

  • Molecular FormulaC22H23FN6OS
  • Average mass438.521 Da
  • Monoisotopic mass438.163818 Da
  • ChemSpider ID23069185

More details:

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

1H-Pyrazole-4-methanamine, 3-(3-fluorophenyl)-1-(4-methoxyphenyl)-N-[2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]ethyl]- [ACD/Index Name]
N-{[3-(3-Fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamine [ACD/IUPAC Name]
N-{[3-(3-Fluorophényl)-1-(4-méthoxyphényl)-1H-pyrazol-4-yl]méthyl}-2-[(4-méthyl-4H-1,2,4-triazol-3-yl)sulfanyl]éthanamine [French] [ACD/IUPAC Name]
N-{[3-(3-Fluorphenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanamin [German] [ACD/IUPAC Name]
N-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]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: 651.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 348.0±34.3 °C
Index of Refraction: 1.653
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 4.97
ACD/KOC (pH 5.5): 35.98
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 152.27
ACD/KOC (pH 7.4): 1102.18
Polar Surface Area: 95 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 335.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement