ChemSpider 2D Image | (3S)-1-{6-[5-(2,6-Difluorophenyl)-2H-indazol-3-yl]-2-pyrazinyl}-3-piperidinamine | C22H20F2N6

(3S)-1-{6-[5-(2,6-Difluorophenyl)-2H-indazol-3-yl]-2-pyrazinyl}-3-piperidinamine

  • Molecular FormulaC22H20F2N6
  • Average mass406.431 Da
  • Monoisotopic mass406.171753 Da
  • ChemSpider ID35035296

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-{6-[5-(2,6-Difluorophenyl)-2H-indazol-3-yl]-2-pyrazinyl}-3-piperidinamine [ACD/IUPAC Name]
(3S)-1-{6-[5-(2,6-Difluorophényl)-2H-indazol-3-yl]-2-pyrazinyl}-3-pipéridinamine [French] [ACD/IUPAC Name]
(3s)-1-{6-[5-(2,6-Difluorophenyl)-2h-Indazol-3-Yl]pyrazin-2-Yl}piperidin-3-Amine
(3S)-1-{6-[5-(2,6-Difluorphenyl)-2H-indazol-3-yl]-2-pyrazinyl}-3-piperidinamin [German] [ACD/IUPAC Name]
3-Piperidinamine, 1-[6-[5-(2,6-difluorophenyl)-2H-indazol-3-yl]-2-pyrazinyl]-, (3S)- [ACD/Index Name]
3UR

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

Density: 1.4±0.1 g/cm3
Boiling Point: 535.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.7±30.1 °C
Index of Refraction: 1.656
Molar Refractivity: 110.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 0.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): 1.37
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 13.42
Polar Surface Area: 84 Å2
Polarizability: 43.7±0.5 10-24cm3
Surface Tension: 61.2±3.0 dyne/cm
Molar Volume: 300.4±3.0 cm3

Click to predict properties on the Chemicalize site


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