ChemSpider 2D Image | 2-(Dimethylamino)-1-[(4aR,7aS)-6,6-dioxido-4-[2-oxo-2-(1-piperidinyl)ethyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone | C17H30N4O4S

2-(Dimethylamino)-1-[(4aR,7aS)-6,6-dioxido-4-[2-oxo-2-(1-piperidinyl)ethyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone

  • Molecular FormulaC17H30N4O4S
  • Average mass386.509 Da
  • Monoisotopic mass386.198761 Da
  • ChemSpider ID29546526

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(Diméthylamino)-1-[(4aR,7aS)-4-[2-oxo-2-(1-pipéridinyl)éthyl]-6,6-dioxydohexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]éthanone [French] [ACD/IUPAC Name]
2-(Dimethylamino)-1-[(4aR,7aS)-6,6-dioxido-4-[2-oxo-2-(1-piperidinyl)ethyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanon [German] [ACD/IUPAC Name]
2-(Dimethylamino)-1-[(4aR,7aS)-6,6-dioxido-4-[2-oxo-2-(1-piperidinyl)ethyl]hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone [ACD/IUPAC Name]
Ethanone, 2-(dimethylamino)-1-[(4aR,7aS)-hexahydro-6,6-dioxido-4-[2-oxo-2-(1-piperidinyl)ethyl]thieno[3,4-b]pyrazin-1(2H)-yl]- [ACD/Index Name]
2-[(4aR*,7aS*)-6,6-dioxido-4-(2-oxo-2-piperidin-1-ylethyl)hexahydrothieno[3,4-b]pyrazin-1(2H)-yl]-N,N-dimethyl-2-oxoethanamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 632.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.5±3.0 kJ/mol
Flash Point: 336.5±31.5 °C
Index of Refraction: 1.562
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.64
Polar Surface Area: 90 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 305.7±3.0 cm3

Click to predict properties on the Chemicalize site


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