ChemSpider 2D Image | 2-{[3-(Allyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethanone | C25H33FN2O5S

2-{[3-(Allyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethanone

  • Molecular FormulaC25H33FN2O5S
  • Average mass492.603 Da
  • Monoisotopic mass492.209412 Da
  • ChemSpider ID22694300

More details:

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

2-{[3-(Allyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}-1-{4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethanone [ACD/IUPAC Name]
2-{[3-(Allyloxy)-2-hydroxypropyl](2-méthoxyéthyl)amino}-1-{4-[(4-fluorophénoxy)méthyl]-6,7-dihydrothiéno[3,2-c]pyridin-5(4H)-yl}éthanone [French] [ACD/IUPAC Name]
2-{[3-(Allyloxy)-2-hydroxypropyl](2-methoxyethyl)amino}-1-{4-[(4-fluorphenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl}ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[4-[(4-fluorophenoxy)methyl]-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-2-[[2-hydroxy-3-(2-propen-1-yloxy)propyl](2-methoxyethyl)amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 650.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.7±3.0 kJ/mol
Flash Point: 347.2±31.5 °C
Index of Refraction: 1.561
Molar Refractivity: 130.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 3.75
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 107.40
ACD/KOC (pH 5.5): 823.42
ACD/LogD (pH 7.4): 3.34
ACD/BCF (pH 7.4): 202.65
ACD/KOC (pH 7.4): 1553.71
Polar Surface Area: 100 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 403.2±3.0 cm3

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