ChemSpider 2D Image | {4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}acetic acid | C27H25N3O5

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

  • Molecular FormulaC27H25N3O5
  • Average mass471.504 Da
  • Monoisotopic mass471.179413 Da
  • ChemSpider ID24808727

More details:

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

{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}acetic acid [ACD/IUPAC Name]
{4-[3-(2-Methyl-2-propanyl)-5-{[1-naphthyl(oxo)acetyl]amino}-1H-pyrazol-1-yl]phenoxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[4-[3-(1,1-dimethylethyl)-5-[[2-(1-naphthalenyl)-1,2-dioxoethyl]amino]-1H-pyrazol-1-yl]phenoxy]- [ACD/Index Name]
Acide {4-[3-(2-méthyl-2-propanyl)-5-{[2-(1-naphtyl)-2-oxoacétyl]amino}-1H-pyrazol-1-yl]phénoxy}acétique [French] [ACD/IUPAC Name]
Kinome_2165

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: 1.627
Molar Refractivity: 131.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.00
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 7.03
ACD/KOC (pH 5.5): 28.28
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.76
Polar Surface Area: 111 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 371.3±7.0 cm3

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