ChemSpider 2D Image | (2S)-2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-3,3,3-trifluoro-1,2-propanediol | C21H23F3N4O4S

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

  • Molecular FormulaC21H23F3N4O4S
  • Average mass484.492 Da
  • Monoisotopic mass484.139221 Da
  • ChemSpider ID34238272

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propin-1-yl)-1-piperazinyl]phenyl}-3,3,3-trifluor-1,2-propandiol [German] [ACD/IUPAC Name]
(2S)-2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl}-3,3,3-trifluoro-1,2-propanediol [ACD/IUPAC Name]
(2S)-2-{4-[(2S)-4-[(6-Amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-pipérazinyl]phényl}-3,3,3-trifluoro-1,2-propanediol [French] [ACD/IUPAC Name]
(2s)-2-{4-[(2s)-4-[(6-Aminopyridin-3-Yl)sulfonyl]-2-(Prop-1-Yn-1-Yl)piperazin-1-Yl]phenyl}-3,3,3-Trifluoropropane-1,2-Diol
1,2-Propanediol, 2-[4-[(2S)-4-[(6-amino-3-pyridinyl)sulfonyl]-2-(1-propyn-1-yl)-1-piperazinyl]phenyl]-3,3,3-trifluoro-, (2S)- [ACD/Index Name]
2TF

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

Density: 1.5±0.1 g/cm3
Boiling Point: 741.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 402.2±35.7 °C
Index of Refraction: 1.649
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.90
ACD/BCF (pH 5.5): 15.99
ACD/KOC (pH 5.5): 246.41
ACD/LogD (pH 7.4): 1.94
ACD/BCF (pH 7.4): 17.57
ACD/KOC (pH 7.4): 270.66
Polar Surface Area: 128 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 75.4±5.0 dyne/cm
Molar Volume: 316.3±5.0 cm3

Click to predict properties on the Chemicalize site


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