ChemSpider 2D Image | 4-({1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}methyl)thiomorpholine | C21H26F3N3S

4-({1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}methyl)thiomorpholine

  • Molecular FormulaC21H26F3N3S
  • Average mass409.511 Da
  • Monoisotopic mass409.179962 Da
  • ChemSpider ID127425249

More details:

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

4-({1-Cyclohexyl-5-[4-(trifluormethyl)phenyl]-1H-pyrazol-3-yl}methyl)thiomorpholin [German] [ACD/IUPAC Name]
4-({1-Cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl}methyl)thiomorpholine [ACD/IUPAC Name]
4-({1-Cyclohexyl-5-[4-(trifluorométhyl)phényl]-1H-pyrazol-3-yl}méthyl)thiomorpholine [French] [ACD/IUPAC Name]
Thiomorpholine, 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-yl]methyl]- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4474293/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 498.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.6±3.0 kJ/mol
Flash Point: 255.0±28.7 °C
Index of Refraction: 1.611
Molar Refractivity: 108.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 1902.14
ACD/KOC (pH 5.5): 5926.22
ACD/LogD (pH 7.4): 5.15
ACD/BCF (pH 7.4): 4778.36
ACD/KOC (pH 7.4): 14887.26
Polar Surface Area: 46 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 43.4±7.0 dyne/cm
Molar Volume: 311.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement