ChemSpider 2D Image | 2-Methoxy-1-[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone | C15H21N3O5S2

2-Methoxy-1-[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone

  • Molecular FormulaC15H21N3O5S2
  • Average mass387.474 Da
  • Monoisotopic mass387.092255 Da
  • ChemSpider ID30955940

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Methoxy-1-[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanon [German] [ACD/IUPAC Name]
2-Methoxy-1-[(4aR,7aS)-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]-6,6-dioxidohexahydrothieno[3,4-b]pyrazin-1(2H)-yl]ethanone [ACD/IUPAC Name]
2-Méthoxy-1-[(4aR,7aS)-4-[2-(2-méthyl-1,3-thiazol-4-yl)acétyl]-6,6-dioxydohexahydrothiéno[3,4-b]pyrazin-1(2H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[(4aS,7aR)-hexahydro-4-(2-methoxyacetyl)-6,6-dioxidothieno[3,4-b]pyrazin-1(2H)-yl]-2-(2-methyl-4-thiazolyl)- [ACD/Index Name]
(4aR*,7aS*)-1-(methoxyacetyl)-4-[(2-methyl-1,3-thiazol-4-yl)acetyl]octahydrothieno[3,4-b]pyrazine 6,6-dioxide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 695.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.6±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.99
ACD/LogD (pH 7.4): -0.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.00
Polar Surface Area: 134 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 59.8±3.0 dyne/cm
Molar Volume: 274.4±3.0 cm3

Click to predict properties on the Chemicalize site


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