ChemSpider 2D Image | 1-[(2-Phenyl-1,3-thiazolidin-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine | C21H24F3N3S

1-[(2-Phenyl-1,3-thiazolidin-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine

  • Molecular FormulaC21H24F3N3S
  • Average mass407.496 Da
  • Monoisotopic mass407.164307 Da
  • ChemSpider ID110078695

More details:






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

1-[(2-Phenyl-1,3-thiazolidin-4-yl)methyl]-4-[3-(trifluormethyl)phenyl]piperazin [German] [ACD/IUPAC Name]
1-[(2-Phenyl-1,3-thiazolidin-4-yl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine [ACD/IUPAC Name]
1-[(2-Phényl-1,3-thiazolidin-4-yl)méthyl]-4-[3-(trifluorométhyl)phényl]pipérazine [French] [ACD/IUPAC Name]
Piperazine, 1-[(2-phenyl-4-thiazolidinyl)methyl]-4-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 527.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 272.9±30.1 °C
Index of Refraction: 1.569
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.15
ACD/LogD (pH 5.5): 2.08
ACD/BCF (pH 5.5): 6.03
ACD/KOC (pH 5.5): 26.75
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 444.15
ACD/KOC (pH 7.4): 1968.96
Polar Surface Area: 44 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 40.9±3.0 dyne/cm
Molar Volume: 328.3±3.0 cm3

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