ChemSpider 2D Image | 1-{[(4aS,7aR)-4-(2-Hydroxyethyl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}cyclopropanecarboxamide | C13H21N3O5S

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

  • Molecular FormulaC13H21N3O5S
  • Average mass331.388 Da
  • Monoisotopic mass331.120178 Da
  • ChemSpider ID29486240

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-{[(4aS,7aR)-4-(2-Hydroxyethyl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}cyclopropancarboxamid [German] [ACD/IUPAC Name]
1-{[(4aS,7aR)-4-(2-Hydroxyethyl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}cyclopropanecarboxamide [ACD/IUPAC Name]
1-{[(4aS,7aR)-4-(2-Hydroxyéthyl)-6,6-dioxydohexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]carbonyl}cyclopropanecarboxamide [French] [ACD/IUPAC Name]
Cyclopropanecarboxamide, 1-[[(4aS,7aR)-hexahydro-4-(2-hydroxyethyl)-6,6-dioxidothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl]- [ACD/Index Name]
1-{[(4aS*,7aR*)-4-(2-hydroxyethyl)-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]carbonyl}cyclopropanecarboxamide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 724.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 120.9±6.0 kJ/mol
Flash Point: 392.2±32.9 °C
Index of Refraction: 1.621
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -2.76
ACD/LogD (pH 5.5): -2.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.37
Polar Surface Area: 129 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 70.9±3.0 dyne/cm
Molar Volume: 221.9±3.0 cm3

Click to predict properties on the Chemicalize site


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