ChemSpider 2D Image | 1,3-Thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl}-2-pyrrolidinyl]methanone | C22H26F3N5OS

1,3-Thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl}-2-pyrrolidinyl]methanone

  • Molecular FormulaC22H26F3N5OS
  • Average mass465.535 Da
  • Monoisotopic mass465.181000 Da
  • ChemSpider ID28516016
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluormethyl)-4-chinolinyl]-1-piperazinyl}-2-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
1,3-Thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluorométhyl)-4-quinoléinyl]-1-pipérazinyl}-2-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
1,3-Thiazolidin-3-yl[(2S,4S)-4-{4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl}-2-pyrrolidinyl]methanone [ACD/IUPAC Name]
Methanone, 3-thiazolidinyl[(2S,4S)-4-[4-[2-(trifluoromethyl)-4-quinolinyl]-1-piperazinyl]-2-pyrrolidinyl]- [ACD/Index Name]
1,3-Thiazolidin-3-Yl[(2s,4s)-4-{4-[2-(Trifluoromethyl)quinolin-4-Yl]piperazin-1-Yl}pyrrolidin-2-Yl]methanone
W61

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

Density: 1.4±0.1 g/cm3
Boiling Point: 640.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.5±3.0 kJ/mol
Flash Point: 340.9±31.5 °C
Index of Refraction: 1.620
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 4.87
ACD/KOC (pH 7.4): 69.21
Polar Surface Area: 77 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 338.6±3.0 cm3

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