ChemSpider 2D Image | 3-Allyl-6-hydroxy-5-[1-propionyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,4(1H,3H)-pyrimidinedione | C22H26N4O7

3-Allyl-6-hydroxy-5-[1-propionyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC22H26N4O7
  • Average mass458.464 Da
  • Monoisotopic mass458.180145 Da
  • ChemSpider ID29012094

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-[4,5-dihydro-1-(1-oxopropyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazol-3-yl]-6-hydroxy-3-(2-propen-1-yl)- [ACD/Index Name]
3-Allyl-6-hydroxy-5-[1-propionyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
3-Allyl-6-hydroxy-5-[1-propionyl-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
3-Allyl-6-hydroxy-5-[1-propionyl-5-(3,4,5-triméthoxyphényl)-4,5-dihydro-1H-pyrazol-3-yl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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: 1.613
Molar Refractivity: 117.0±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -1.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.08
ACD/LogD (pH 7.4): -2.71
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 130 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 49.1±7.0 dyne/cm
Molar Volume: 336.1±7.0 cm3

Click to predict properties on the Chemicalize site


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