ChemSpider 2D Image | 2-[(4aR,7aS)-6,6-Dioxido-4-[(propylsulfanyl)acetyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide | C15H27N3O4S2

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

  • Molecular FormulaC15H27N3O4S2
  • Average mass377.523 Da
  • Monoisotopic mass377.144287 Da
  • ChemSpider ID29726175

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4aR,7aS)-6,6-Dioxido-4-[(propylsulfanyl)acetyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamid [German] [ACD/IUPAC Name]
2-[(4aR,7aS)-6,6-Dioxido-4-[(propylsulfanyl)acetyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethylacetamide [ACD/IUPAC Name]
2-[(4aR,7aS)-6,6-Dioxydo-4-[2-(propylsulfanyl)acétyl]hexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]-N,N-diméthylacétamide [French] [ACD/IUPAC Name]
Thieno[3,4-b]pyrazine-1(2H)-acetamide, hexahydro-N,N-dimethyl-4-[2-(propylthio)acetyl]-, 6,6-dioxide, (4aR,7aS)- [ACD/Index Name]
2-[(4aR*,7aS*)-6,6-dioxido-4-[(propylthio)acetyl]hexahydrothieno[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: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.556
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.65
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.25
Polar Surface Area: 112 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 48.5±3.0 dyne/cm
Molar Volume: 299.1±3.0 cm3

Click to predict properties on the Chemicalize site


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