ChemSpider 2D Image | {1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid | C18H20FNO3S

{1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid

  • Molecular FormulaC18H20FNO3S
  • Average mass349.420 Da
  • Monoisotopic mass349.114807 Da
  • ChemSpider ID35032785

More details:

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

{1-[2-Cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}acetic acid [ACD/IUPAC Name]
{1-[2-Cyclopropyl-1-(2-fluorphenyl)-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydro-3-pyridinyl}essigsäure [German] [ACD/IUPAC Name]
3-Pyridineacetic acid, 1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-1,2,5,6-tetrahydro-4-mercapto- [ACD/Index Name]
Acide {1-[2-cyclopropyl-1-(2-fluorophényl)-2-oxoéthyl]-4-sulfanyl-1,2,5,6-tétrahydro-3-pyridinyl}acétique [French] [ACD/IUPAC Name]
{1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanyl-5,6-dihydro-2H-pyridin-3-yl}acetic acid
2-{1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanyl-1,2,5,6-tetrahydropyridin-3-yl}acetic acid
R-138727

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 509.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.1±3.0 kJ/mol
Flash Point: 262.0±30.1 °C
Index of Refraction: 1.620
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 11.40
ACD/KOC (pH 5.5): 101.24
ACD/LogD (pH 7.4): 0.17
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.42
Polar Surface Area: 96 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 260.0±5.0 cm3

Click to predict properties on the Chemicalize site


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