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Search term: SWQLTIWVDZKVMH (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (8aS)-8a-Methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide | C26H26N6O3

(8aS)-8a-Methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide

  • Molecular FormulaC26H26N6O3
  • Average mass470.523 Da
  • Monoisotopic mass470.206635 Da
  • ChemSpider ID26630886

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8aS)-8a-Methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazin-7(1H)-carboxamid [German] [ACD/IUPAC Name]
(8aS)-8a-Methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide [ACD/IUPAC Name]
(8aS)-8a-Méthyl-1,3-dioxo-2-[(1S,2R)-2-phénylcyclopropyl]-N-(1-phényl-1H-pyrazol-5-yl)hexahydroimidazo[1,5-a]pyrazine-7(1H)-carboxamide [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-7(1H)-carboxamide, hexahydro-8a-methyl-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-N-(1-phenyl-1H-pyrazol-5-yl)-, (8aS)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.736
Molar Refractivity: 131.9±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): 2.63
ACD/BCF (pH 5.5): 58.88
ACD/KOC (pH 5.5): 643.47
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.88
ACD/KOC (pH 7.4): 643.49
Polar Surface Area: 91 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 328.5±7.0 cm3

Click to predict properties on the Chemicalize site


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