ChemSpider 2D Image | 1-[(4aR,7aS)-6,6-Dioxidohexahydro-4H-thieno[3,4-b][1,4]oxazin-4-yl]-3-(4-morpholinylsulfonyl)-1-propanone | C13H22N2O7S2

1-[(4aR,7aS)-6,6-Dioxidohexahydro-4H-thieno[3,4-b][1,4]oxazin-4-yl]-3-(4-morpholinylsulfonyl)-1-propanone

  • Molecular FormulaC13H22N2O7S2
  • Average mass382.453 Da
  • Monoisotopic mass382.086853 Da
  • ChemSpider ID62445746

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(4aR,7aS)-6,6-Dioxidohexahydro-4H-thieno[3,4-b][1,4]oxazin-4-yl]-3-(4-morpholinylsulfonyl)-1-propanon [German] [ACD/IUPAC Name]
1-[(4aR,7aS)-6,6-Dioxidohexahydro-4H-thieno[3,4-b][1,4]oxazin-4-yl]-3-(4-morpholinylsulfonyl)-1-propanone [ACD/IUPAC Name]
1-[(4aR,7aS)-6,6-Dioxydohexahydro-4H-thiéno[3,4-b][1,4]oxazin-4-yl]-3-(4-morpholinylsulfonyl)-1-propanone [French] [ACD/IUPAC Name]
1-Propanone, 1-[(4aR,7aS)-hexahydro-6,6-dioxido-4H-thieno[3,4-b]-1,4-oxazin-4-yl]-3-(4-morpholinylsulfonyl)- [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: 696.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 374.8±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 85.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.59
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.27
ACD/LogD (pH 7.4): -1.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.27
Polar Surface Area: 127 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 249.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement