ChemSpider 2D Image | 3-Amino-N-[(2r,5s)-5-hydroxyadamantan-2-yl]-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-pyrazinecarboxamide | C25H28N6O2

3-Amino-N-[(2r,5s)-5-hydroxyadamantan-2-yl]-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-pyrazinecarboxamide

  • Molecular FormulaC25H28N6O2
  • Average mass444.529 Da
  • Monoisotopic mass444.227386 Da
  • ChemSpider ID28531578

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

2-Pyrazinecarboxamide, 3-amino-N-(5-hydroxytricyclo[3.3.1.13,7]dec-2-yl)-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]- [ACD/Index Name]
3-Amino-N-[(2r,5s)-5-hydroxyadamantan-2-yl]-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-pyrazincarboxamid [German] [ACD/IUPAC Name]
3-Amino-N-[(2r,5s)-5-hydroxyadamantan-2-yl]-6-[3-(1-methyl-1H-pyrazol-4-yl)phenyl]-2-pyrazinecarboxamide [ACD/IUPAC Name]
3-Amino-N-[(2r,5s)-5-hydroxyadamantan-2-yl]-6-[3-(1-méthyl-1H-pyrazol-4-yl)phényl]-2-pyrazinecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 692.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.6±3.0 kJ/mol
Flash Point: 372.6±31.5 °C
Index of Refraction: 1.792
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.40
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 165.73
ACD/KOC (pH 5.5): 1349.72
ACD/LogD (pH 7.4): 3.22
ACD/BCF (pH 7.4): 165.65
ACD/KOC (pH 7.4): 1349.06
Polar Surface Area: 119 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 68.0±7.0 dyne/cm
Molar Volume: 289.0±7.0 cm3

Click to predict properties on the Chemicalize site


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