ChemSpider 2D Image | 2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1-trifluoro-4-hexyn-2-ol | C24H25F3N4O3S

2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1-trifluoro-4-hexyn-2-ol

  • Molecular FormulaC24H25F3N4O3S
  • Average mass506.540 Da
  • Monoisotopic mass506.159943 Da
  • ChemSpider ID34238279

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propin-1-yl)-1-piperazinyl]phenyl}-1,1,1-trifluor-4-hexin-2-ol [German] [ACD/IUPAC Name]
2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-1,1,1-trifluoro-4-hexyn-2-ol [ACD/IUPAC Name]
2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-pipérazinyl]phényl}-1,1,1-trifluoro-4-hexyn-2-ol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]-α-2-butyn-1-yl-α-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 713.8±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±3.0 kJ/mol
Flash Point: 385.5±35.7 °C
Index of Refraction: 1.635
Molar Refractivity: 125.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.51
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 408.23
ACD/KOC (pH 5.5): 2504.63
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 448.42
ACD/KOC (pH 7.4): 2751.18
Polar Surface Area: 108 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 350.6±5.0 cm3

Click to predict properties on the Chemicalize site


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