ChemSpider 2D Image | 2-(3-Chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid | C24H23ClFN3O5

2-(3-Chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid

  • Molecular FormulaC24H23ClFN3O5
  • Average mass487.908 Da
  • Monoisotopic mass487.131012 Da
  • ChemSpider ID34246151

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(3-Chlorophenoxy)-3-fluoro-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoic acid [ACD/IUPAC Name]
2-(3-Chlorophenoxy)-3-Fluoro-4-{[(3s)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)piperidin-1-Yl]methyl}benzoic Acid
2-(3-Chlorphenoxy)-3-fluor-4-{[(3S)-3-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}benzoesäure [German] [ACD/IUPAC Name]
Acide 2-(3-chlorophénoxy)-3-fluoro-4-{[(3S)-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pipéridinyl]méthyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-(3-chlorophenoxy)-4-[[(3S)-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-piperidinyl]methyl]-3-fluoro- [ACD/Index Name]
31Z

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.622
Molar Refractivity: 122.0±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.33
ACD/LogD (pH 5.5): 0.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.78
ACD/LogD (pH 7.4): 0.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.08
Polar Surface Area: 99 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 346.6±3.0 cm3

Click to predict properties on the Chemicalize site


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