ChemSpider 2D Image | 4-{[(4aS,7aR)-4-Ethyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzenesulfonamide | C15H21N3O5S2

4-{[(4aS,7aR)-4-Ethyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzenesulfonamide

  • Molecular FormulaC15H21N3O5S2
  • Average mass387.474 Da
  • Monoisotopic mass387.092255 Da
  • ChemSpider ID29674241

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(4aS,7aR)-4-Ethyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzenesulfonamide [ACD/IUPAC Name]
4-{[(4aS,7aR)-4-Ethyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzolsulfonamid [German] [ACD/IUPAC Name]
4-{[(4aS,7aR)-4-Éthyl-6,6-dioxydohexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzènesulfonamide [French] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[[(4aS,7aR)-4-ethylhexahydro-6,6-dioxidothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl]- [ACD/Index Name]
4-{[(4aS*,7aR*)-4-ethyl-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}benzenesulfonamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 677.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.4±3.0 kJ/mol
Flash Point: 363.3±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 93.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -3.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 135 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 55.9±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

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