ChemSpider 2D Image | 4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid | C25H24F3N3O5

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

  • Molecular FormulaC25H24F3N3O5
  • Average mass503.470 Da
  • Monoisotopic mass503.166809 Da
  • ChemSpider ID28668342

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}-2-[3-(trifluormethyl)phenoxy]benzoesäure [German] [ACD/IUPAC Name]
4-{[(3S)-3-(5-Methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-piperidinyl]methyl}-2-[3-(trifluoromethyl)phenoxy]benzoic acid [ACD/IUPAC Name]
4-{[(3s)-3-(5-Methyl-2,4-Dioxo-3,4-Dihydropyrimidin-1(2h)-Yl)piperidin-1-Yl]methyl}-2-[3-(Trifluoromethyl)phenoxy]benzoic Acid
Acide 4-{[(3S)-3-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-1-pipéridinyl]méthyl}-2-[3-(trifluorométhyl)phénoxy]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(3S)-3-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-1-piperidinyl]methyl]-2-[3-(trifluoromethyl)phenoxy]- [ACD/Index Name]
0Y5

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: 1.586
Molar Refractivity: 122.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.61
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.48
Polar Surface Area: 99 Å2
Polarizability: 48.4±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 363.9±3.0 cm3

Click to predict properties on the Chemicalize site


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