ChemSpider 2D Image | 2-[(4aR,7aS)-4-[(2-Methoxyethoxy)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide | C15H27N3O6S

2-[(4aR,7aS)-4-[(2-Methoxyethoxy)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide

  • Molecular FormulaC15H27N3O6S
  • Average mass377.456 Da
  • Monoisotopic mass377.162048 Da
  • ChemSpider ID29698243

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4aR,7aS)-4-[(2-Methoxyethoxy)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-[(4aR,7aS)-4-[(2-Methoxyethoxy)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide [ACD/IUPAC Name]
2-[(4aR,7aS)-4-[2-(2-Méthoxyéthoxy)acétyl]-6,6-dioxydohexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]-N,N-diméthylacétamide [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine-1(2H)-acetamide, hexahydro-4-[2-(2-methoxyethoxy)acetyl]-N,N-dimethyl-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
2-[(4aR*,7aS*)-4-[(2-methoxyethoxy)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 603.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.7±3.0 kJ/mol
Flash Point: 318.5±31.5 °C
Index of Refraction: 1.527
Molar Refractivity: 91.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -1.52
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.55
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.21
Polar Surface Area: 105 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 297.8±3.0 cm3

Click to predict properties on the Chemicalize site


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