ChemSpider 2D Image | [(2S,4S)-4-{4-[1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-pyrrolidinyl](1,3-thiazolidin-3-yl)methanone | C23H28F3N5OS

[(2S,4S)-4-{4-[1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-pyrrolidinyl](1,3-thiazolidin-3-yl)methanone

  • Molecular FormulaC23H28F3N5OS
  • Average mass479.561 Da
  • Monoisotopic mass479.196655 Da
  • ChemSpider ID28945622

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(2S,4S)-4-{4-[1-Phenyl-3-(trifluormethyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-pyrrolidinyl](1,3-thiazolidin-3-yl)methanon [German] [ACD/IUPAC Name]
[(2S,4S)-4-{4-[1-Phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1-piperidinyl}-2-pyrrolidinyl](1,3-thiazolidin-3-yl)methanone [ACD/IUPAC Name]
[(2S,4S)-4-{4-[1-Phényl-3-(trifluorométhyl)-1H-pyrazol-5-yl]-1-pipéridinyl}-2-pyrrolidinyl](1,3-thiazolidin-3-yl)méthanone [French] [ACD/IUPAC Name]
[(2s,4s)-4-{4-[1-Phenyl-3-(Trifluoromethyl)-1h-Pyrazol-5-Yl]piperidin-1-Yl}pyrrolidin-2-Yl](1,3-Thiazolidin-3-Yl)methanone
Methanone, [(2S,4S)-4-[4-[1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-1-piperidinyl]-2-pyrrolidinyl]-3-thiazolidinyl- [ACD/Index Name]
W94

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.2±31.5 °C
Index of Refraction: 1.672
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 2.13
ACD/KOC (pH 7.4): 24.14
Polar Surface Area: 79 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 327.6±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement