ChemSpider 2D Image | 2-Acetoxy-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium | C20H21FNO3S

2-Acetoxy-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium

  • Molecular FormulaC20H21FNO3S
  • Average mass374.448 Da
  • Monoisotopic mass374.122070 Da
  • ChemSpider ID58163909

  • Charge - Charge

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Acetoxy-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium [ACD/IUPAC Name]
2-Acétoxy-5-[(1S)-2-cyclopropyl-1-(2-fluorophényl)-2-oxoéthyl]-4,5,6,7-tétrahydrothiéno[3,2-c]pyridin-5-ium [French] [ACD/IUPAC Name]
2-Acetoxy-5-[(1S)-2-cyclopropyl-1-(2-fluorphenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium [German] [ACD/IUPAC Name]
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-cyclopropyl-2-(2-fluorophenyl)-, conjugate acid, (2S)- [ACD/Index Name]
(S)-prasugrel(1+)
2-(acetyloxy)-5-[(1S)-2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium
  • Miscellaneous

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

Density:
Boiling Point: 493.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 76.1±3.0 kJ/mol
Flash Point: 252.3±28.7 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 212.20
ACD/KOC (pH 5.5): 1604.56
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 215.15
ACD/KOC (pH 7.4): 1626.90
Polar Surface Area: 76 Å2
Polarizability:
Surface Tension:
Molar Volume:

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