ChemSpider 2D Image | LXS-196 | C22H23F3N8O

LXS-196

  • Molecular FormulaC22H23F3N8O
  • Average mass472.466 Da
  • Monoisotopic mass472.194702 Da
  • ChemSpider ID57617794

More details:






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

1874276-76-2 [RN]
2-Pyrazinecarboxamide, 3-amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]- [ACD/Index Name]
3-Amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluormethyl)-2-pyridinyl]-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3-Amino-N-[3-(4-amino-4-methyl-1-piperidinyl)-2-pyridinyl]-6-[3-(trifluoromethyl)-2-pyridinyl]-2-pyrazinecarboxamide [ACD/IUPAC Name]
3-Amino-N-[3-(4-amino-4-méthyl-1-pipéridinyl)-2-pyridinyl]-6-[3-(trifluorométhyl)-2-pyridinyl]-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]
LXS-196
NVP-LXS196
1874276-76-2 (free base)
3-amino-N-(3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl)-6-(3-(trifluoromethyl)pyridin-2-yl)pyrazine-2-carboxamide
LXS196
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 592.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.4±3.0 kJ/mol
Flash Point: 312.3±30.1 °C
Index of Refraction: 1.622
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -0.56
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 7.03
Polar Surface Area: 136 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 62.3±3.0 dyne/cm
Molar Volume: 340.5±3.0 cm3

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