ChemSpider 2D Image | 5-{2-[(2,2,3,3-~2~H_4_)Cyclopropyl]-1-(2-fluorophenyl)-2-oxoethyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate | C20H16D4FNO3S

5-{2-[(2,2,3,3-2H4)Cyclopropyl]-1-(2-fluorophenyl)-2-oxoethyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

  • Molecular FormulaC20H16D4FNO3S
  • Average mass377.466 Da
  • Monoisotopic mass377.139893 Da
  • ChemSpider ID57558687

  • Non-standard isotope - Non-standard isotope

More details:

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

5-{2-[(2,2,3,3-2H4)Cyclopropyl]-1-(2-fluorophenyl)-2-oxoethyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate [ACD/IUPAC Name]
5-{2-[(2,2,3,3-2H4)Cyclopropyl]-1-(2-fluorphenyl)-2-oxoethyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 5-{2-[(2,2,3,3-2H4)cyclopropyl]-1-(2-fluorophényl)-2-oxoéthyl}-4,5,6,7-tétrahydrothiéno[3,2-c]pyridin-2-yle [French] [ACD/IUPAC Name]
Ethanone, 2-[2-(acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-1-(cyclopropyl-2,2,3,3-d4)-2-(2-fluorophenyl)- [ACD/Index Name]
1189919-49-0 [RN]
5-[2-(2,2,3,3-2H4)Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl acetate

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

Density: 1.3±0.1 g/cm3
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: 1.619
Molar Refractivity: 97.2±0.3 cm3
#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: 75 Å2
Polarizability: 38.5±0.5 10-24cm3
Surface Tension: 56.8±3.0 dyne/cm
Molar Volume: 277.1±3.0 cm3

Click to predict properties on the Chemicalize site


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