ChemSpider 2D Image | 2-(2-{4-[(6-Amino-3-pyridinyl)sulfonyl]-1-piperazinyl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoro-2-propanol | C22H20F6N6O3S

2-(2-{4-[(6-Amino-3-pyridinyl)sulfonyl]-1-piperazinyl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoro-2-propanol

  • Molecular FormulaC22H20F6N6O3S
  • Average mass562.488 Da
  • Monoisotopic mass562.122192 Da
  • ChemSpider ID35034929

More details:

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

[3,3'-Bipyridine]-5-methanol, 2-[4-[(6-amino-3-pyridinyl)sulfonyl]-1-piperazinyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
2-(2-{4-[(6-Amino-3-pyridinyl)sulfonyl]-1-piperazinyl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-(2-{4-[(6-Amino-3-pyridinyl)sulfonyl]-1-piperazinyl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-(2-{4-[(6-Amino-3-pyridinyl)sulfonyl]-1-pipérazinyl}-3,3'-bipyridin-5-yl)-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
2-(2-{4-[(6-Aminopyridin-3-Yl)sulfonyl]piperazin-1-Yl}-3,3'-Bipyridin-5-Yl)-1,1,1,3,3,3-Hexafluoropropan-2-Ol
2TO

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

Density: 1.5±0.1 g/cm3
Boiling Point: 732.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 396.9±35.7 °C
Index of Refraction: 1.580
Molar Refractivity: 122.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 38.47
ACD/KOC (pH 5.5): 395.36
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 57.31
ACD/KOC (pH 7.4): 588.96
Polar Surface Area: 134 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 367.7±3.0 cm3

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