ChemSpider 2D Image | 2-{4-[(2R)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol | C21H20F6N4O3S

2-{4-[(2R)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol

  • Molecular FormulaC21H20F6N4O3S
  • Average mass522.464 Da
  • Monoisotopic mass522.116028 Da
  • ChemSpider ID31138828

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1361224-54-5 [RN]
2-{4-[(2R)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propin-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-{4-[(2R)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-{4-[(2R)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-pipérazinyl]phényl}-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(2R)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 648.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.2±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 114.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 202.58
ACD/KOC (pH 5.5): 1516.82
ACD/LogD (pH 7.4): 3.39
ACD/BCF (pH 7.4): 221.77
ACD/KOC (pH 7.4): 1660.48
Polar Surface Area: 108 Å2
Polarizability: 45.2±0.5 10-24cm3
Surface Tension: 62.3±5.0 dyne/cm
Molar Volume: 334.1±5.0 cm3

Click to predict properties on the Chemicalize site


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