ChemSpider 2D Image | (8aS)-7-(Methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one | C7H13N3O3S

(8aS)-7-(Methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one

  • Molecular FormulaC7H13N3O3S
  • Average mass219.261 Da
  • Monoisotopic mass219.067764 Da
  • ChemSpider ID29856037

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(8aS)-7-(Methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
(8aS)-7-(Methylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
(8aS)-7-(Méthylsulfonyl)hexahydroimidazo[1,5-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazin-3(2H)-one, hexahydro-7-(methylsulfonyl)-, (8aS)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.613
Molar Refractivity: 50.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.73
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.22
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.22
Polar Surface Area: 78 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 65.8±5.0 dyne/cm
Molar Volume: 145.7±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement