ChemSpider 2D Image | 3-{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}propanoic acid | C28H27N3O5

3-{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}propanoic acid

  • Molecular FormulaC28H27N3O5
  • Average mass485.531 Da
  • Monoisotopic mass485.195068 Da
  • ChemSpider ID24808726

More details:

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

3-{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}propanoic acid [ACD/IUPAC Name]
3-{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[3-(2-méthyl-2-propanyl)-5-{[2-(1-naphtyl)-2-oxoacétyl]amino}-1H-pyrazol-1-yl]phénoxy}propanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[4-[3-(1,1-dimethylethyl)-5-[[2-(1-naphthalenyl)-1,2-dioxoethyl]amino]-1H-pyrazol-1-yl]phenoxy]- [ACD/Index Name]
Kinome_2166

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 136.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 3.47
ACD/BCF (pH 5.5): 118.16
ACD/KOC (pH 5.5): 429.04
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 7.44
Polar Surface Area: 111 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 387.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement