ChemSpider 2D Image | 1-[(7S,9aS)-7-(4-Fluoro-3-isocyano-2-methylphenyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]ethanone | C23H24FN9O

1-[(7S,9aS)-7-(4-Fluoro-3-isocyano-2-methylphenyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]ethanone

  • Molecular FormulaC23H24FN9O
  • Average mass461.495 Da
  • Monoisotopic mass461.208771 Da
  • ChemSpider ID98661322

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(7S,9aS)-7-(4-Fluor-3-isocyano-2-methylphenyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]ethanon [German] [ACD/IUPAC Name]
1-[(7S,9aS)-7-(4-Fluoro-3-isocyano-2-methylphenyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]ethanone [ACD/IUPAC Name]
1-[(7S,9aS)-7-(4-Fluoro-3-isocyano-2-méthylphényl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tétrazol-1-yl)-2-pyridinyl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(7S,9aS)-7-(4-fluoro-3-isocyano-2-methylphenyl)octahydro-2H-pyrazino[1,2-a]pyrazin-2-yl]-2-[5-(1H-tetrazol-1-yl)-2-pyridinyl]- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 96 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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